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Chemical ID: 4461757
Chemical ID:
4461757
Name [?]:
N-butyl-4-[(methylsulfonyl-phenyl-amino)methyl]benzamide
SMILES [?]:
CCCCNC(=O)c1ccc(cc1)CN(c2ccccc2)S(=O)(=O)C
InChi [?]:
InChI=1/C19H24N2O3S/c1-3-4-14-20-19(22)17-12-10-16(11-13-17)15-21(25(2,23)24)18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,3,19,18,20,17,21,10,12,9,13,4,14,11,8,16,6,5,15,7,23,24,22/E:(6,7)(8,9)(10,11)(12,13)(23,24)/CRV:25.6/rA:25cCCCCNCOCCCCCCCNCCCCCCSOOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s15;d22;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6728 |
Area: | 580.374 |
Solvation: | -3.83656 |
Coulombic: | -29.0775 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 360.472 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.29 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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