N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide

C30H32F3N3O6S — CID 43899793

IUPACN-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C30H32F3N3O6S/c1-41-26-16-15-23(18-27(26)42-2)43(39,40)36(22-12-8-9-20(17-22)30(31,32)33)19-28(37)35-25-14-7-6-13-24(25)29(38)34-21-10-4-3-5-11-21/h6-9,12-18,21H,3-5,10-11,19H2,1-2H3,(H,34,38)(H,35,37)
InChIKeyXDCPIDDEAMLNDG-UHFFFAOYSA-N
MW619.66 g/mol
LogP5.62
Rot. Bonds10

About N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide

N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide (PubChem CID 43899793) has the molecular formula C30H32F3N3O6S and a molecular weight of 619.66 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide
PubChem CID43899793
Molecular FormulaC30H32F3N3O6S
Molecular Weight619.66 g/mol
Exact Mass619.20
IUPAC NameN-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C30H32F3N3O6S/c1-41-26-16-15-23(18-27(26)42-2)43(39,40)36(22-12-8-9-20(17-22)30(31,32)33)19-28(37)35-25-14-7-6-13-24(25)29(38)34-21-10-4-3-5-11-21/h6-9,12-18,21H,3-5,10-11,19H2,1-2H3,(H,34,38)(H,35,37)
InChIKeyXDCPIDDEAMLNDG-UHFFFAOYSA-N
XLogP5.62
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.66
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51362649
N-butyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 43900138
2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 43900735
2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43900777
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 43899804
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 43899593
N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126032749
2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126033321
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)acetamide
CID 30257511
2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035456
N-(3-acetylphenyl)-2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43899989
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126030244

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide (CID 43899793) is N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The InChIKey is XDCPIDDEAMLNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N3O6S/c1-41-26-16-15-23(18-27(26)42-2)43(39,40)36(22-12-8-9-20(17-22)30(31,32)33)19-28(37)35-25-14-7-6-13-24(25)29(38)34-21-10-4-3-5-11-21/h6-9,12-18,21H,3-5,10-11,19H2,1-2H3,(H,34,38)(H,35,37).
What are the key properties of N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide has a molecular weight of 619.66 g/mol, XLogP of 5.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 43899793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).