N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide

C21H21NO3S — CID 97000970

IUPACN-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide
SMILESCS(=O)(=O)C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H21NO3S/c1-26(24,25)15-20(18-8-3-2-4-9-18)22-21(23)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,20H,14-15H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyHCLUOFYPUMSAIJ-HXUWFJFHSA-N
MW367.47 g/mol
LogP3.28
Rot. Bonds6

About N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide

N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide (PubChem CID 97000970) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide
PubChem CID97000970
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide
SMILESCS(=O)(=O)C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H21NO3S/c1-26(24,25)15-20(18-8-3-2-4-9-18)22-21(23)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,20H,14-15H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyHCLUOFYPUMSAIJ-HXUWFJFHSA-N
XLogP3.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-naphthalen-2-ylacetyl)amino]-2-phenylacetamide
CID 42377162
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
2-[(2-naphthalen-2-ylacetyl)amino]propanediamide
CID 134011808
N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide
CID 114389774
2-naphthalen-2-yl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42999680
(3S)-N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-1-oxobutan-2-yl]-3-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanamide
CID 11353021
N-[4-(ethylsulfonylamino)phenyl]-2-naphthalen-2-ylacetamide
CID 47067033
2-(naphthalen-2-ylamino)-N-(1-phenylpropyl)acetamide
CID 54839833
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
4-(1H-indol-3-yl)-N-[(1S)-2-methylsulfonyl-1-phenylethyl]butanamide
CID 97000968
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide (CID 97000970) is N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide is CS(=O)(=O)C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide?
The InChIKey is HCLUOFYPUMSAIJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-26(24,25)15-20(18-8-3-2-4-9-18)22-21(23)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,20H,14-15H2,1H3,(H,22,23)/t20-/m1/s1.
What are the key properties of N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide?
N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide has a molecular weight of 367.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methylsulfonyl-1-phenylethyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 97000970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).