N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide

C20H20N2O3S — CID 60534940

IUPACN,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O3S/c1-14-8-9-17(20(23)22(2)3)13-19(14)21-26(24,25)18-11-10-15-6-4-5-7-16(15)12-18/h4-13,21H,1-3H3
InChIKeyCMRPDSZVUWVVDQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.65
Rot. Bonds4

About N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide

N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide (PubChem CID 60534940) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide
PubChem CID60534940
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O3S/c1-14-8-9-17(20(23)22(2)3)13-19(14)21-26(24,25)18-11-10-15-6-4-5-7-16(15)12-18/h4-13,21H,1-3H3
InChIKeyCMRPDSZVUWVVDQ-UHFFFAOYSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680
N-[2-methyl-5-(4-methylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 10320106
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 87026306
N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide
CID 62999680
N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
CID 60534815
N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 30379157
N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 154839852
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N,N-diethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 109065077
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide?
The IUPAC name of N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide (CID 60534940) is N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide is Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide?
The InChIKey is CMRPDSZVUWVVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-14-8-9-17(20(23)22(2)3)13-19(14)21-26(24,25)18-11-10-15-6-4-5-7-16(15)12-18/h4-13,21H,1-3H3.
What are the key properties of N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide?
N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide has a molecular weight of 368.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 60534940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).