Chemical ID: 6027103

CCCCNC(=O)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(C)C
Chemical ID:
6027103
Name [?]:
N-benzyl-2-(butylcarbamoyl-isopropyl-amino)-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCCCNC(=O)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(C)C
InChi [?]:
InChI=1/C23H33N3O2S/c1-5-6-13-24-23(28)26(18(2)3)17-22(27)25(15-20-10-8-7-9-11-20)16-21-19(4)12-14-29-21/h7-12,14,18H,5-6,13,15-17H2,1-4H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,28,29,26,2,3,17,16,18,15,19,23,4,24,13,20,9,27,22,14,21,10,6,5,12,8,11,7,25/E:(2,3)(8,9)(10,11)/rA:29nCCCCNCONCCONCCCCCCCCCCCCSCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;d21;s22;d23;s21s24;s22;s8;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.3675
Area:631.038
Solvation:-3.4085
Coulombic:-49.5847
Bond Count [?]
All:30
Single:23
Double:7
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:415.593
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.67
LogP (Chemaxon):4.0

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Descriptor Annotations

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