N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide

C21H25FN2O3S — CID 53282659

IUPACN-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H25FN2O3S/c1-28(26,27)24(15-17-7-5-6-10-20(17)22)19-13-11-16(12-14-19)21(25)23-18-8-3-2-4-9-18/h5-7,10-14,18H,2-4,8-9,15H2,1H3,(H,23,25)
InChIKeyMTHYVNLKKXGRQB-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.85
Rot. Bonds6

About N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide

N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 53282659) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
PubChem CID53282659
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H25FN2O3S/c1-28(26,27)24(15-17-7-5-6-10-20(17)22)19-13-11-16(12-14-19)21(25)23-18-8-3-2-4-9-18/h5-7,10-14,18H,2-4,8-9,15H2,1H3,(H,23,25)
InChIKeyMTHYVNLKKXGRQB-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 989117
N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
CID 53287040
(2S)-2-[[2-(4-tert-butyl-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100557515
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 56700074
N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 961960
(2R)-2-[[2-(4-bromo-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100555927
(2R)-N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]propanamide
CID 125083880
2-[[2-(4-chloro-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 133198591
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(4-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 133198701
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767762
N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 19062175
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 94020257

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide (CID 53282659) is N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide is CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is MTHYVNLKKXGRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-28(26,27)24(15-17-7-5-6-10-20(17)22)19-13-11-16(12-14-19)21(25)23-18-8-3-2-4-9-18/h5-7,10-14,18H,2-4,8-9,15H2,1H3,(H,23,25).
What are the key properties of N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide?
N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 404.51 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 53282659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).