Chemical ID: 5368965

CCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)CS(=O)(=O)c3ccc(cc3)C
Chemical ID:
5368965
Name [?]:
N-[4-(4-propanoylpiperazin-1-yl)phenyl]-2-(p-tolylsulfonyl)acetamide
SMILES [?]:
CCC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)CS(=O)(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C22H27N3O4S/c1-3-22(27)25-14-12-24(13-15-25)19-8-6-18(7-9-19)23-21(26)16-30(28,29)20-10-4-17(2)5-11-20/h4-11H,3,12-16H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,30,2,26,28,13,15,12,16,25,29,7,9,6,10,20,27,14,11,24,18,3,17,8,5,19,4,22,23,21/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(28,29)/CRV:30.6/rA:30nCCCONCCNCCCCCCCCNCOCSOOCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s8;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;d21;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.89447
Area:662.538
Solvation:-6.66897
Coulombic:-43.1421
Bond Count [?]
All:32
Single:22
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:429.534
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.99
LogP (Chemaxon):2.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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