4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide

C20H19NO3S — CID 9439131

IUPAC4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C20H19NO3S/c1-14(18-9-5-7-15-6-3-4-8-19(15)18)21-20(22)16-10-12-17(13-11-16)25(2,23)24/h3-14H,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyZFWKPLDWCKQDER-AWEZNQCLSA-N
MW353.44 g/mol
LogP3.73
Rot. Bonds4

About 4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide

4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 9439131) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
PubChem CID9439131
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C20H19NO3S/c1-14(18-9-5-7-15-6-3-4-8-19(15)18)21-20(22)16-10-12-17(13-11-16)25(2,23)24/h3-14H,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyZFWKPLDWCKQDER-AWEZNQCLSA-N
XLogP3.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide
CID 55757507
4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide
CID 47042681
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 59038441
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 43853062
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
CID 42910401
5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 27753913

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide (CID 9439131) is 4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide is C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc2ccccc12.
What is the InChIKey of 4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is ZFWKPLDWCKQDER-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-14(18-9-5-7-15-6-3-4-8-19(15)18)21-20(22)16-10-12-17(13-11-16)25(2,23)24/h3-14H,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide?
4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 353.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 9439131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).