2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide

C20H20N2O4S — CID 18115072

IUPAC2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O4S/c1-22(13-14-7-8-15-5-3-4-6-16(15)11-14)20(23)18-12-17(27(21,24)25)9-10-19(18)26-2/h3-12H,13H2,1-2H3,(H2,21,24,25)
InChIKeyDSGMQSQRGSTVIH-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.77
Rot. Bonds5

About 2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide

2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide (PubChem CID 18115072) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide
PubChem CID18115072
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H20N2O4S/c1-22(13-14-7-8-15-5-3-4-6-16(15)11-14)20(23)18-12-17(27(21,24)25)9-10-19(18)26-2/h3-12H,13H2,1-2H3,(H2,21,24,25)
InChIKeyDSGMQSQRGSTVIH-UHFFFAOYSA-N
XLogP2.77
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 7601402
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 18112583
2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18115021
2-[(2-methoxy-5-sulfamoylbenzoyl)-methylamino]acetic acid
CID 119171965
2-methoxy-N-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-5-sulfamoylbenzamide
CID 118772025
N-benzyl-5-(ethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 19257900
N-(cyclobutylmethyl)-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 63933053
5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 39912911
5-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 24817034
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24544465
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 46778138

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide (CID 18115072) is 2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide?
The InChIKey is DSGMQSQRGSTVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-22(13-14-7-8-15-5-3-4-6-16(15)11-14)20(23)18-12-17(27(21,24)25)9-10-19(18)26-2/h3-12H,13H2,1-2H3,(H2,21,24,25).
What are the key properties of 2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide?
2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide has a molecular weight of 384.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-(naphthalen-2-ylmethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 18115072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).