N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C21H20ClN3O5S2 — CID 4876435

IUPACN-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccc(C)s2)ccc1Cl
InChIInChI=1S/C21H20ClN3O5S2/c1-13-7-10-18(31-13)21(27)23-12-20(26)24-14-8-9-15(22)19(11-14)32(28,29)25-16-5-3-4-6-17(16)30-2/h3-11,25H,12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyKCGUDBNWGOWOLA-UHFFFAOYSA-N
MW493.99 g/mol
LogP3.89
Rot. Bonds8

About N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 4876435) has the molecular formula C21H20ClN3O5S2 and a molecular weight of 493.99 g/mol. Its IUPAC name is N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID4876435
Molecular FormulaC21H20ClN3O5S2
Molecular Weight493.99 g/mol
Exact Mass493.05
IUPAC NameN-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccc(C)s2)ccc1Cl
InChIInChI=1S/C21H20ClN3O5S2/c1-13-7-10-18(31-13)21(27)23-12-20(26)24-14-8-9-15(22)19(11-14)32(28,29)25-16-5-3-4-6-17(16)30-2/h3-11,25H,12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyKCGUDBNWGOWOLA-UHFFFAOYSA-N
XLogP3.89
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55955115
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17476660
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-iodobenzamide
CID 3326698
N-[2-[3-[(3-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 42992241
2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642606
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 36542894
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 37032471
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
3-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642566
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
1-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(3-fluoro-4-methylphenyl)thiourea
CID 24501778
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 4876435) is N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccc(C)s2)ccc1Cl.
What is the InChIKey of N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is KCGUDBNWGOWOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O5S2/c1-13-7-10-18(31-13)21(27)23-12-20(26)24-14-8-9-15(22)19(11-14)32(28,29)25-16-5-3-4-6-17(16)30-2/h3-11,25H,12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 493.99 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 4876435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).