N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide

C19H17N3O7S2 — CID 4830568

IUPACN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2OC)cc1
InChIInChI=1S/C19H17N3O7S2/c1-28-14-6-3-12(4-7-14)21-31(26,27)17-11-13(5-8-15(17)29-2)20-19(23)16-9-10-18(30-16)22(24)25/h3-11,21H,1-2H3,(H,20,23)
InChIKeyDYOXCKGIGMXWNR-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.73
Rot. Bonds8

About N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide

N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide (PubChem CID 4830568) has the molecular formula C19H17N3O7S2 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
PubChem CID4830568
Molecular FormulaC19H17N3O7S2
Molecular Weight463.49 g/mol
Exact Mass463.05
IUPAC NameN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2OC)cc1
InChIInChI=1S/C19H17N3O7S2/c1-28-14-6-3-12(4-7-14)21-31(26,27)17-11-13(5-8-15(17)29-2)20-19(23)16-9-10-18(30-16)22(24)25/h3-11,21H,1-2H3,(H,20,23)
InChIKeyDYOXCKGIGMXWNR-UHFFFAOYSA-N
XLogP3.73
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-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-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4045486
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
CID 3381484
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 3890178
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-5-nitrothiophene-2-carboxamide
CID 4878100
4-[(4-methoxyanilino)sulfonyl]-N-phenyl-2-thiophenecarboxamide
CID 1079045
N-(4-methoxyphenyl)-3-nitro-N-(2-thienylsulfonyl)benzamide
CID 1242566
N-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)amino]sulfonyl}-2-thiophenecarboxamide
CID 2204342
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide
CID 2431423
(2S)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16294949
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 1071336
N-(4-ethoxyphenyl)-5-nitrothiophene-2-carboxamide
CID 2083355
N-(4-methoxyphenyl)-5-nitrothiophene-2-carboxamide
CID 3657131

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide (CID 4830568) is N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2OC)cc1.
What is the InChIKey of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide?
The InChIKey is DYOXCKGIGMXWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O7S2/c1-28-14-6-3-12(4-7-14)21-31(26,27)17-11-13(5-8-15(17)29-2)20-19(23)16-9-10-18(30-16)22(24)25/h3-11,21H,1-2H3,(H,20,23).
What are the key properties of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide?
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 4830568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).