2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide

C25H22N2O3S — CID 2219459

IUPAC2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C25H22N2O3S/c1-18(19-9-3-2-4-10-19)26-25(28)23-13-7-8-14-24(23)27-31(29,30)22-16-15-20-11-5-6-12-21(20)17-22/h2-18,27H,1H3,(H,26,28)/t18-/m1/s1
InChIKeyCESWVECTBLSEFQ-GOSISDBHSA-N
MW430.53 g/mol
LogP5.13
Rot. Bonds6

About 2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide

2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 2219459) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
PubChem CID2219459
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C25H22N2O3S/c1-18(19-9-3-2-4-10-19)26-25(28)23-13-7-8-14-24(23)27-31(29,30)22-16-15-20-11-5-6-12-21(20)17-22/h2-18,27H,1H3,(H,26,28)/t18-/m1/s1
InChIKeyCESWVECTBLSEFQ-GOSISDBHSA-N
XLogP5.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 30713520
2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 42917034
2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 2968335
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 43012060
2-(benzenesulfonamido)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100620253
2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 24639279
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 51557476
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434
3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24671753

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide (CID 2219459) is 2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is CESWVECTBLSEFQ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-18(19-9-3-2-4-10-19)26-25(28)23-13-7-8-14-24(23)27-31(29,30)22-16-15-20-11-5-6-12-21(20)17-22/h2-18,27H,1H3,(H,26,28)/t18-/m1/s1.
What are the key properties of 2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide?
2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 430.53 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 2219459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).