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

C20H17ClN2O5S2 — CID 91886920

IUPACmethyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O5S2/c1-28-20(25)19-17(11-12-29-19)30(26,27)23(16-9-7-14(21)8-10-16)13-18(24)22-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)
InChIKeySEOHYUDQEKZKEE-UHFFFAOYSA-N
MW464.95 g/mol
LogP4.02
Rot. Bonds7

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

methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 91886920) has the molecular formula C20H17ClN2O5S2 and a molecular weight of 464.95 g/mol. Its IUPAC name is methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID91886920
Molecular FormulaC20H17ClN2O5S2
Molecular Weight464.95 g/mol
Exact Mass464.03
IUPAC Namemethyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O5S2/c1-28-20(25)19-17(11-12-29-19)30(26,27)23(16-9-7-14(21)8-10-16)13-18(24)22-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24)
InChIKeySEOHYUDQEKZKEE-UHFFFAOYSA-N
XLogP4.02
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4-chlorophenyl)-[2-(4-methoxyanilino)-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 16956742
methyl 3-[[2-(3-methylanilino)-2-oxoethyl]-phenylsulfamoyl]thiophene-2-carboxylate
CID 20944573
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4882632
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-phenylacetamide
CID 1334368
2-(4-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-phenylacetamide
CID 1472193
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide
CID 1475349
methyl 3-[ethyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3367491
methyl 3-[benzyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3460622
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307
2-(N-(2,4-difluorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4787927
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-chlorophenyl)acetamide
CID 1343150

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate (CID 91886920) is methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is SEOHYUDQEKZKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5S2/c1-28-20(25)19-17(11-12-29-19)30(26,27)23(16-9-7-14(21)8-10-16)13-18(24)22-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,24).
What are the key properties of methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 464.95 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-anilino-2-oxoethyl)-(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 91886920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).