Chemical ID: 6876995

CCc1ccc(cc1)NC(=O)CSCCCc2ccccc2
Chemical ID:
6876995
Name [?]:
N-(4-ethylphenyl)-2-(3-phenylpropylsulfanyl)acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CSCCCc2ccccc2
InChi [?]:
InChI=1/C19H23NOS/c1-2-16-10-12-18(13-11-16)20-19(21)15-22-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,15,18,22,16,4,8,5,7,14,12,3,17,6,10,9,11,13/E:(4,5)(7,8)(10,11)(12,13)/rA:22nCCCCCCCCNCOCSCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23NOS
All Atoms:45
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.2074
Area:568.029
Solvation:-2.99332
Coulombic:-23.4763
Bond Count [?]
All:23
Single:16
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:313.458
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.85
LogP (Chemaxon):5.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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