(4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate

C19H17NO5S2 — CID 6503673

IUPAC(4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOc1ccc(OC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)cs2)cc1
InChIInChI=1S/C19H17NO5S2/c1-20(14-6-4-3-5-7-14)27(22,23)17-12-18(26-13-17)19(21)25-16-10-8-15(24-2)9-11-16/h3-13H,1-2H3
InChIKeyJQQPKFIERHOEEU-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.80
Rot. Bonds6

About (4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate

(4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 6503673) has the molecular formula C19H17NO5S2 and a molecular weight of 403.48 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID6503673
Molecular FormulaC19H17NO5S2
Molecular Weight403.48 g/mol
Exact Mass403.05
IUPAC Name(4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOc1ccc(OC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)cs2)cc1
InChIInChI=1S/C19H17NO5S2/c1-20(14-6-4-3-5-7-14)27(22,23)17-12-18(26-13-17)19(21)25-16-10-8-15(24-2)9-11-16/h3-13H,1-2H3
InChIKeyJQQPKFIERHOEEU-UHFFFAOYSA-N
XLogP3.80
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 6949945
4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
CID 851375
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate
CID 71904208
[2-(4-methoxyphenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 46788854
[4-[benzenesulfonyl(methyl)amino]phenyl] 1-benzofuran-2-carboxylate
CID 7750186
[4-[benzenesulfonyl(methyl)amino]phenyl] pyrazine-2-carboxylate
CID 18075166
[4-[benzenesulfonyl(methyl)amino]phenyl] 3-(4-methoxyphenyl)propanoate
CID 4815823
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
[4-[benzenesulfonyl(methyl)amino]phenyl] 4-methylbenzoate
CID 71904345
[4-[benzenesulfonyl(methyl)amino]phenyl] 3,4-dimethylbenzoate
CID 71904341
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3-nitrobenzoate
CID 71904213
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate
CID 7921898

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of (4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate (CID 6503673) is (4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for (4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate is COc1ccc(OC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)cs2)cc1.
What is the InChIKey of (4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is JQQPKFIERHOEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S2/c1-20(14-6-4-3-5-7-14)27(22,23)17-12-18(26-13-17)19(21)25-16-10-8-15(24-2)9-11-16/h3-13H,1-2H3.
What are the key properties of (4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate?
(4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 403.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 6503673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).