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Chemical ID: 7280443

Chemical ID:

7280443

Name [?]:

2-[ethyl-[2-(3-methoxyphenyl)acetyl]-amino]-N-(2-thienylmethyl)acetamide

SMILES [?]:

CCN(CC(=O)NCc1cccs1)C(=O)Cc2cccc(c2)OC

InChi [?]:

InChI=1/C18H22N2O3S/c1-3-20(13-17(21)19-12-16-8-5-9-24-16)18(22)11-14-6-4-7-15(10-14)23-2/h4-10H,3,11-13H2,1-2H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,24,2,19,11,18,20,10,12,22,16,8,4,17,21,9,5,14,7,3,6,15,23,13/rA:24nCCNCCONCCCCCSCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;s9s12;s3;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂N₂O₃S
All Atoms:	46
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.32729
Area:	587.268
Solvation:	-5.35441
Coulombic:	-44.5328

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	346.445
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.66
LogP (Chemaxon):	1.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value