Chemical ID: 5185696

CCN1CCN(CC1)C(=O)CN(c2ccc(cc2)C(C)C)S(=O)(=O)C
Chemical ID:
5185696
Name [?]:
N-[(4-ethylpiperazin-1-yl)carbonylmethyl]-N-(4-isopropylphenyl)-methanesulfonamide
SMILES [?]:
CCN1CCN(CC1)C(=O)CN(c2ccc(cc2)C(C)C)S(=O)(=O)C
InChi [?]:
InChI=1/C18H29N3O3S/c1-5-19-10-12-20(13-11-19)18(22)14-21(25(4,23)24)17-8-6-16(7-9-17)15(2)3/h6-9,15H,5,10-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,21,25,2,15,17,14,18,4,8,5,7,11,19,16,13,9,3,6,12,10,23,24,22/E:(2,3)(6,7)(8,9)(10,11)(12,13)(23,24)/CRV:25.6/rA:25cCCNCCNCCCOCNCCCCCCCCCSOOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s12;d22;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H29N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.5579
Area:578.01
Solvation:-3.89233
Coulombic:-26.6014
Bond Count [?]
All:26
Single:20
Double:6
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:367.507
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.61
LogP (Chemaxon):1.31

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Descriptor Annotations

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