4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide

C18H16N2O4S2 — CID 6504088

IUPAC4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)cs1
InChIInChI=1S/C18H16N2O4S2/c1-12-4-2-3-5-16(12)19-18(22)17-10-15(11-25-17)26(23,24)20-13-6-8-14(21)9-7-13/h2-11,20-21H,1H3,(H,19,22)
InChIKeyFLIKSCRFZGNZTG-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.82
Rot. Bonds5

About 4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide

4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide (PubChem CID 6504088) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide
PubChem CID6504088
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)cs1
InChIInChI=1S/C18H16N2O4S2/c1-12-4-2-3-5-16(12)19-18(22)17-10-15(11-25-17)26(23,24)20-13-6-8-14(21)9-7-13/h2-11,20-21H,1H3,(H,19,22)
InChIKeyFLIKSCRFZGNZTG-UHFFFAOYSA-N
XLogP3.82
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-4-[(3-methylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6504099
N-(2-methylphenyl)-4-(propan-2-ylsulfamoyl)thiophene-2-carboxamide
CID 6504111
4-(cyclopentylsulfamoyl)-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6504119
4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 22307959
4-(dimethylsulfamoyl)-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6503064
4,5-dimethoxy-2-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 22307958
N-(2-methylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 6504124
2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6504079
4-[methyl-(3-methylphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6503694
N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503536
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
4-[(4-methoxyphenyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6504134

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide (CID 6504088) is 4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide is Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)cs1.
What is the InChIKey of 4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is FLIKSCRFZGNZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c1-12-4-2-3-5-16(12)19-18(22)17-10-15(11-25-17)26(23,24)20-13-6-8-14(21)9-7-13/h2-11,20-21H,1H3,(H,19,22).
What are the key properties of 4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide?
4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 6504088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).