Chemical ID: 5916625

CCCC(=O)N(CC1CCCO1)CC(=O)N(Cc2ccccc2)Cc3c(ccs3)C
Chemical ID:
5916625
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(tetrahydrofuran-2-ylmethyl)butanamide
SMILES [?]:
CCCC(=O)N(CC1CCCO1)CC(=O)N(Cc2ccccc2)Cc3c(ccs3)C
InChi [?]:
InChI=1/C24H32N2O3S/c1-3-8-23(27)26(16-21-11-7-13-29-21)18-24(28)25(15-20-9-5-4-6-10-20)17-22-19(2)12-14-30-22/h4-6,9-10,12,14,21H,3,7-8,11,13,15-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,21,20,22,10,3,19,23,9,27,11,28,17,7,24,13,26,18,8,25,4,14,16,6,5,15,12,29/E:(5,6)(9,10)/rA:30cCCCCONCCCCCOCCONCCCCCCCCCCCCSC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s8s11;s6;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;d25;s26;d27;s25s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N2O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.3733
Area:660.826
Solvation:-5.14733
Coulombic:-42.0603
Bond Count [?]
All:32
Single:25
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:428.589
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.97
LogP (Chemaxon):3.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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