(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide

C21H22N2O3S — CID 126384842

IUPAC(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
SMILESCc1ccc(N([C@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1
InChIInChI=1S/C21H22N2O3S/c1-15-11-13-18(14-12-15)23(27(3,25)26)16(2)21(24)22-20-10-6-8-17-7-4-5-9-19(17)20/h4-14,16H,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyASWCEMUCWMHUJP-MRXNPFEDSA-N
MW382.49 g/mol
LogP3.94
Rot. Bonds5

About (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide

(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide (PubChem CID 126384842) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
PubChem CID126384842
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
SMILESCc1ccc(N([C@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1
InChIInChI=1S/C21H22N2O3S/c1-15-11-13-18(14-12-15)23(27(3,25)26)16(2)21(24)22-20-10-6-8-17-7-4-5-9-19(17)20/h4-14,16H,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeyASWCEMUCWMHUJP-MRXNPFEDSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]propanamide
CID 124546089
2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
CID 132671168
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 124561242
(2R)-N-(4-acetamidophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234672
(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126136461
N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 4311330
(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126384834
(2R)-N-(2,4-difluorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2239790
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124550781
N-dibenzofuran-3-yl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 133185447
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126413930
N-(furan-2-ylmethyl)-2-[[(2S)-2-(4-methyl-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 2234210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide?
The IUPAC name of (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide (CID 126384842) is (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide?
The canonical SMILES for (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide is Cc1ccc(N([C@H](C)C(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide?
The InChIKey is ASWCEMUCWMHUJP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-15-11-13-18(14-12-15)23(27(3,25)26)16(2)21(24)22-20-10-6-8-17-7-4-5-9-19(17)20/h4-14,16H,1-3H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide?
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide has a molecular weight of 382.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 126384842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).