N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide

C17H21N3O5S — CID 28867109

IUPACN-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide
SMILESCOc1cc(N)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC
InChIInChI=1S/C17H21N3O5S/c1-20(2)26(22,23)12-7-5-11(6-8-12)17(21)19-14-10-16(25-4)15(24-3)9-13(14)18/h5-10H,18H2,1-4H3,(H,19,21)
InChIKeyWKMAMXFPDCZDKG-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.79
Rot. Bonds6

About N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide

N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 28867109) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide
PubChem CID28867109
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide
SMILESCOc1cc(N)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC
InChIInChI=1S/C17H21N3O5S/c1-20(2)26(22,23)12-7-5-11(6-8-12)17(21)19-14-10-16(25-4)15(24-3)9-13(14)18/h5-10H,18H2,1-4H3,(H,19,21)
InChIKeyWKMAMXFPDCZDKG-UHFFFAOYSA-N
XLogP1.79
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4795128
N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide
CID 2464580
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 3963997
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-4-(dimethylsulfamoyl)benzamide
CID 1251770
4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7921725
4-cyclohexyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 40695566
N-(5-chloro-2-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 2664664
N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide
CID 106752394

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide (CID 28867109) is N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide is COc1cc(N)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is WKMAMXFPDCZDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-20(2)26(22,23)12-7-5-11(6-8-12)17(21)19-14-10-16(25-4)15(24-3)9-13(14)18/h5-10H,18H2,1-4H3,(H,19,21).
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide?
N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 379.44 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethoxyphenyl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 28867109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).