2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide

C17H20N2O3S — CID 40633950

IUPAC2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-14(15-9-5-3-6-10-15)18-17(20)13-19(23(2,21)22)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyBFHVLODWCXBDFU-CQSZACIVSA-N
MW332.43 g/mol
LogP2.33
Rot. Bonds6

About 2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide

2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 40633950) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID40633950
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-14(15-9-5-3-6-10-15)18-17(20)13-19(23(2,21)22)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyBFHVLODWCXBDFU-CQSZACIVSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890982
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 30257133
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257105
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 75627878
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2273018
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
CID 100563073
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2854471
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100701915
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133165013
N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133251712
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 38014585

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide (CID 40633950) is 2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is BFHVLODWCXBDFU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-14(15-9-5-3-6-10-15)18-17(20)13-19(23(2,21)22)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide?
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 40633950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).