Chemical ID: 4884165

CC(C(=O)N1CCN(CC1)C)N(c2ccc(cc2)OC)S(=O)(=O)C
Chemical ID:
4884165
Name [?]:
N-(4-methoxyphenyl)-N-[1-(4-methylpiperazin-1-yl)carbonylethyl]methanesulfonamide
SMILES [?]:
CC(C(=O)N1CCN(CC1)C)N(c2ccc(cc2)OC)S(=O)(=O)C
InChi [?]:
InChI=1/C16H25N3O4S/c1-13(16(20)18-11-9-17(2)10-12-18)19(24(4,21)22)14-5-7-15(23-3)8-6-14/h5-8,13H,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,11,20,24,14,18,15,17,7,9,6,10,2,13,16,3,8,5,12,4,22,23,19,21/E:(5,6)(7,8)(9,10)(11,12)(21,22)/CRV:24.6/rA:24cCCCONCCNCCCNCCCCCCOCSOOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s8;s2;s12;s13;d14;s15;d16;d13s17;s16;s19;s12;d21;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25N3O4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:7.12231
Area:527.979
Solvation:-6.07716
Coulombic:-31.8089
Bond Count [?]
All:25
Single:19
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:355.454
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.22
LogP (Chemaxon):0.06

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Descriptor Annotations

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