N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide

C17H21NO3S — CID 122143069

IUPACN-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide
SMILESCC(C)(CCS(C)(=O)=O)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H21NO3S/c1-17(2,11-12-22(3,20)21)18-16(19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3,(H,18,19)
InChIKeyVQWAGDHHGXRZMJ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.78
Rot. Bonds5

About N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide

N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide (PubChem CID 122143069) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide
PubChem CID122143069
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide
SMILESCC(C)(CCS(C)(=O)=O)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H21NO3S/c1-17(2,11-12-22(3,20)21)18-16(19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3,(H,18,19)
InChIKeyVQWAGDHHGXRZMJ-UHFFFAOYSA-N
XLogP2.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methylpropan-2-yl)naphthalene-1-carboxamide;hydrochloride
CID 119522938
2-methyl-2-(naphthalene-1-carbonylamino)butanoic acid
CID 79792523
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide
CID 177151717
N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 60535333
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 60533340
2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid
CID 43341305
N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529
N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide
CID 139029465
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
N-(5-hydroxy-2,2-dimethylpentyl)naphthalene-1-carboxamide
CID 103899589
(naphthalene-1-carbonylamino) trifluoromethanesulfonate
CID 87389546
3-amino-2-hydroxy-N-(2-methylpentan-2-yl)benzamide
CID 113471534

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide (CID 122143069) is N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide is CC(C)(CCS(C)(=O)=O)NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide?
The InChIKey is VQWAGDHHGXRZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-17(2,11-12-22(3,20)21)18-16(19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,11-12H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide?
N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-methylsulfonylbutan-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 122143069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).