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Chemical ID: 6176213

Cc1cc(ccc1NC(=O)c2ccsc2)c3ccc(c(c3)C)NC(=O)c4cccs4

Chemical ID:

6176213

Name [?]:

N-[2-methyl-4-[3-methyl-4-(2-thienylcarbonylamino)phenyl]-phenyl]thiophene-3-carboxamide

SMILES [?]:

Cc1cc(ccc1NC(=O)c2ccsc2)c3ccc(c(c3)C)NC(=O)c4cccs4

InChi [?]:

InChI=1/C24H20N2O2S2/c1-15-12-17(5-7-20(15)25-23(27)19-9-11-29-14-19)18-6-8-21(16(2)13-18)26-24(28)22-4-3-10-30-22/h3-14H,1-2H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,22,28,27,5,17,6,18,12,29,13,3,21,15,2,20,4,16,11,7,19,26,9,24,8,23,10,25,14,30/rA:30nCCCCCCCNCOCCCSCCCCCCCCNCOCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d11s14;s4;s16;d17;s18;d19;d16s20;s20;s19;s23;d24;s24;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀N₂O₂S₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.6829
Area:	671.025
Solvation:	-3.09277
Coulombic:	-45.5848

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	432.56
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.31
LogP (Chemaxon):	4.56

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value