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Chemical ID: 4161570

Chemical ID:

4161570

Name [?]:

2-(cyclohexylcarbamoylmethylsulfanyl)-N-(p-tolyl)acetamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)CSCC(=O)NC2CCCCC2

InChi [?]:

InChI=1/C17H24N2O2S/c1-13-7-9-15(10-8-13)19-17(21)12-22-11-16(20)18-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,18,20)(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,20,19,21,18,22,3,7,4,6,13,11,2,17,5,14,9,16,8,15,10,12/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCCCNCOCSCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₄N₂O₂S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.2858
Area:	552.687
Solvation:	-4.53138
Coulombic:	-40.6262

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	320.451
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.96
LogP (Chemaxon):	2.51

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value