Chemical ID: 6856930

CCCCc1ccc(cc1)NC(=O)CSCCCC
Chemical ID:
6856930
Name [?]:
N-(4-butylphenyl)-2-butylsulfanyl-acetamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)CSCCCC
InChi [?]:
InChI=1/C16H25NOS/c1-3-5-7-14-8-10-15(11-9-14)17-16(18)13-19-12-6-4-2/h8-11H,3-7,12-13H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,2,18,3,17,4,6,10,7,9,16,14,5,8,12,11,13,15/E:(8,9)(10,11)/rA:19nCCCCCCCCCCNCOCSCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NOS
All Atoms:44
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.8861
Area:536.098
Solvation:-2.51634
Coulombic:-22.9139
Bond Count [?]
All:19
Single:15
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:279.442
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.11
LogP (Chemaxon):4.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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