Chemical ID: 5914575

CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)N(C)C
Chemical ID:
5914575
Name [?]:
N-benzyl-2-(dimethylcarbamoyl-(3-ethoxypropyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)N(C)C
InChi [?]:
InChI=1/C22H31N3O3S/c1-4-28-14-9-13-24(22(27)23(2)3)18-21(26)25(17-20-12-8-15-29-20)16-19-10-6-5-7-11-19/h5-8,10-12,15H,4,9,13-14,16-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,29,2,16,15,17,22,5,14,18,21,6,4,23,12,19,8,13,20,9,25,27,7,11,10,26,3,24/E:(2,3)(6,7)(10,11)/rA:29nCCOCCCNCCONCCCCCCCCCCCCSCONCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;s7;d25;s25;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H31N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.2457
Area:661.482
Solvation:-5.29136
Coulombic:-51.81
Bond Count [?]
All:30
Single:23
Double:7
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:417.566
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.02
LogP (Chemaxon):2.05

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Descriptor Annotations

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