2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C21H25FN2O3S — CID 25479687

IUPAC2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C21H25FN2O3S/c1-16-9-5-7-13-19(16)23-21(25)15-24(17-10-3-2-4-11-17)28(26,27)20-14-8-6-12-18(20)22/h2-4,6,8,10-12,14,16,19H,5,7,9,13,15H2,1H3,(H,23,25)/t16-,19-/m1/s1
InChIKeyNDANFQFJMBMVPJ-VQIMIIECSA-N
MW404.51 g/mol
LogP3.72
Rot. Bonds6

About 2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 25479687) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID25479687
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C21H25FN2O3S/c1-16-9-5-7-13-19(16)23-21(25)15-24(17-10-3-2-4-11-17)28(26,27)20-14-8-6-12-18(20)22/h2-4,6,8,10-12,14,16,19H,5,7,9,13,15H2,1H3,(H,23,25)/t16-,19-/m1/s1
InChIKeyNDANFQFJMBMVPJ-VQIMIIECSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(2-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 36574960
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 11897876
N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2982325
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8709179
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 6600800
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide
CID 2695389
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7918992
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-methylcyclohexyl)acetamide
CID 4297432
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7966742
N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide
CID 25487605
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 124772270

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 25479687) is 2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is NDANFQFJMBMVPJ-VQIMIIECSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-16-9-5-7-13-19(16)23-21(25)15-24(17-10-3-2-4-11-17)28(26,27)20-14-8-6-12-18(20)22/h2-4,6,8,10-12,14,16,19H,5,7,9,13,15H2,1H3,(H,23,25)/t16-,19-/m1/s1.
What are the key properties of 2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-fluorophenyl)sulfonylanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 25479687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).