4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide

C19H18N2O4S2 — CID 6504058

IUPAC4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide
SMILESCOc1ccc(CNS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C19H18N2O4S2/c1-25-16-9-7-14(8-10-16)12-20-27(23,24)17-11-18(26-13-17)19(22)21-15-5-3-2-4-6-15/h2-11,13,20H,12H2,1H3,(H,21,22)
InChIKeyVPXSOCAETAVBKZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.49
Rot. Bonds7

About 4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide

4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide (PubChem CID 6504058) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide
PubChem CID6504058
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC Name4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide
SMILESCOc1ccc(CNS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C19H18N2O4S2/c1-25-16-9-7-14(8-10-16)12-20-27(23,24)17-11-18(26-13-17)19(22)21-15-5-3-2-4-6-15/h2-11,13,20H,12H2,1H3,(H,21,22)
InChIKeyVPXSOCAETAVBKZ-UHFFFAOYSA-N
XLogP3.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
2-[[5-(phenylcarbamoyl)thiophen-3-yl]sulfonylamino]propanoic acid
CID 6504034
phenyl 4-[(4-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 20842957
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 10338959
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890
4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
4-[(4-methoxyphenyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 6504134
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of 4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide (CID 6504058) is 4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide is COc1ccc(CNS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide?
The InChIKey is VPXSOCAETAVBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-25-16-9-7-14(8-10-16)12-20-27(23,24)17-11-18(26-13-17)19(22)21-15-5-3-2-4-6-15/h2-11,13,20H,12H2,1H3,(H,21,22).
What are the key properties of 4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide?
4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylsulfamoyl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 6504058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).