N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide

C21H21NO3S — CID 60619049

IUPACN-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide
SMILESCN(CCc1cccc2ccccc12)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C21H21NO3S/c1-22(21(23)18-10-6-11-19(15-18)26(2,24)25)14-13-17-9-5-8-16-7-3-4-12-20(16)17/h3-12,15H,13-14H2,1-2H3
InChIKeyQCPUGEHQRFYJOM-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.56
Rot. Bonds5

About N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide

N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide (PubChem CID 60619049) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide
PubChem CID60619049
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide
SMILESCN(CCc1cccc2ccccc12)C(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C21H21NO3S/c1-22(21(23)18-10-6-11-19(15-18)26(2,24)25)14-13-17-9-5-8-16-7-3-4-12-20(16)17/h3-12,15H,13-14H2,1-2H3
InChIKeyQCPUGEHQRFYJOM-UHFFFAOYSA-N
XLogP3.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
CID 69372704
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid
CID 16777539
N-methyl-3-methylsulfonyl-N-[(2-phenylphenyl)methyl]benzamide
CID 60618534
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 26826251
(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide
CID 94821471
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805
(2R)-2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 119309086
N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 39972148
2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid
CID 122099616
2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)pentanamide
CID 119309088
N-methyl-3-methylsulfonyl-N-(thiophen-3-ylmethyl)benzamide
CID 18117252

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide?
The IUPAC name of N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide (CID 60619049) is N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide.
What is the SMILES notation for N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide?
The canonical SMILES for N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide is CN(CCc1cccc2ccccc12)C(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide?
The InChIKey is QCPUGEHQRFYJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-22(21(23)18-10-6-11-19(15-18)26(2,24)25)14-13-17-9-5-8-16-7-3-4-12-20(16)17/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide?
N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide has a molecular weight of 367.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-N-(2-naphthalen-1-ylethyl)benzamide is sourced from PubChem (CID 60619049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).