Chemical ID: 5918887

CCCCNC(=O)N(CCC)CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C
Chemical ID:
5918887
Name [?]:
N-benzyl-2-(butylcarbamoyl-propyl-amino)-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCCCNC(=O)N(CCC)CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C
InChi [?]:
InChI=1/C23H33N3O2S/c1-4-6-14-24-23(28)25(15-5-2)18-22(27)26(16-20-10-8-7-9-11-20)17-21-13-12-19(3)29-21/h7-13H,4-6,14-18H2,1-3H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,11,29,2,10,3,20,19,21,18,22,26,25,4,9,16,23,12,27,17,24,13,6,5,8,15,14,7,28/E:(8,9)(10,11)/rA:29nCCCCNCONCCCCCONCCCCCCCCCCCCSC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s8;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s15;s23;d24;s25;d26;s24s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.2735
Area:690.719
Solvation:-3.99443
Coulombic:-49.4495
Bond Count [?]
All:30
Single:23
Double:7
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:415.593
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.27
LogP (Chemaxon):3.59

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Descriptor Annotations

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