methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate

C21H19ClN2O6S2 — CID 16956742

IUPACmethyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O6S2/c1-29-17-9-5-15(6-10-17)23-19(25)13-24(16-7-3-14(22)4-8-16)32(27,28)18-11-12-31-20(18)21(26)30-2/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyCLJUHRWWMDHKRJ-UHFFFAOYSA-N
MW494.98 g/mol
LogP4.03
Rot. Bonds8

About methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 16956742) has the molecular formula C21H19ClN2O6S2 and a molecular weight of 494.98 g/mol. Its IUPAC name is methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
PubChem CID16956742
Molecular FormulaC21H19ClN2O6S2
Molecular Weight494.98 g/mol
Exact Mass494.04
IUPAC Namemethyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O6S2/c1-29-17-9-5-15(6-10-17)23-19(25)13-24(16-7-3-14(22)4-8-16)32(27,28)18-11-12-31-20(18)21(26)30-2/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyCLJUHRWWMDHKRJ-UHFFFAOYSA-N
XLogP4.03
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.98
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 91886920
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 53280578
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-phenylacetamide
CID 1334368
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4882632
methyl 3-[[2-(3-methylanilino)-2-oxoethyl]-phenylsulfamoyl]thiophene-2-carboxylate
CID 20944573
N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858792
N-[4-(1-adamantyl)phenyl]-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126035524
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43880636
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 5163836
2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4787927

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate (CID 16956742) is methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccc(OC)cc1)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is CLJUHRWWMDHKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O6S2/c1-29-17-9-5-15(6-10-17)23-19(25)13-24(16-7-3-14(22)4-8-16)32(27,28)18-11-12-31-20(18)21(26)30-2/h3-12H,13H2,1-2H3,(H,23,25).
What are the key properties of methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 494.98 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 16956742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).