N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

C17H19ClN2O3S — CID 133160999

IUPACN-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN(C(C(=O)NCc1ccc(Cl)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-20(24(2,22)23)16(14-6-4-3-5-7-14)17(21)19-12-13-8-10-15(18)11-9-13/h3-11,16H,12H2,1-2H3,(H,19,21)
InChIKeyQRYQGKNDSJSWMP-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.59
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide

N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 133160999) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID133160999
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCN(C(C(=O)NCc1ccc(Cl)cc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-20(24(2,22)23)16(14-6-4-3-5-7-14)17(21)19-12-13-8-10-15(18)11-9-13/h3-11,16H,12H2,1-2H3,(H,19,21)
InChIKeyQRYQGKNDSJSWMP-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 71933759
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133237535
(2S)-N-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125060901
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]-2-phenylacetamide
CID 125058003
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(dimethylamino)-2-phenylacetamide
CID 110625358
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide
CID 125053712
(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100773773
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 125054382
2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133237321
(2S)-2-[methyl(methylsulfonyl)amino]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-phenylacetamide
CID 125049776
(2R)-2-[methyl(methylsulfonyl)amino]-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-phenylacetamide
CID 125049780
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 133160999) is N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is CN(C(C(=O)NCc1ccc(Cl)cc1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is QRYQGKNDSJSWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-20(24(2,22)23)16(14-6-4-3-5-7-14)17(21)19-12-13-8-10-15(18)11-9-13/h3-11,16H,12H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 366.87 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 133160999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).