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

C20H17Cl2N3O4S2 — CID 4848431

IUPACN-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)s1
InChIInChI=1S/C20H17Cl2N3O4S2/c1-12-2-9-18(30-12)20(27)23-11-19(26)24-17-10-15(7-8-16(17)22)31(28,29)25-14-5-3-13(21)4-6-14/h2-10,25H,11H2,1H3,(H,23,27)(H,24,26)
InChIKeyJFTIBWFVEQKHMS-UHFFFAOYSA-N
MW498.41 g/mol
LogP4.53
Rot. Bonds7

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

N-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 4848431) has the molecular formula C20H17Cl2N3O4S2 and a molecular weight of 498.41 g/mol. Its IUPAC name is N-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID4848431
Molecular FormulaC20H17Cl2N3O4S2
Molecular Weight498.41 g/mol
Exact Mass497.00
IUPAC NameN-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)s1
InChIInChI=1S/C20H17Cl2N3O4S2/c1-12-2-9-18(30-12)20(27)23-11-19(26)24-17-10-15(7-8-16(17)22)31(28,29)25-14-5-3-13(21)4-6-14/h2-10,25H,11H2,1H3,(H,23,27)(H,24,26)
InChIKeyJFTIBWFVEQKHMS-UHFFFAOYSA-N
XLogP4.53
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.41
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Chloro-Thiophene-2-Carboxylic Acid [(S)-2-[2-Chloro-5-Fluoro-3-(2-Oxo-Piperidin-1-Yl)-Benzenesulfonylamino]-3-(4-Methyl-Piperazin-1-Yl)-3-Oxo-Propyl]-Amide
CID 72200999
5-chloro-N-[(2S)-2-[[2-chloro-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 67155431
5-chloro-N-[(2S)-2-[[2-chloro-5-fluoro-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 78225370
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 3575923
N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4648331
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4882743
3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 24979101
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 24979373
[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 3963140
N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16318473
4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 25163381
N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide
CID 3551334

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 4848431) is N-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2Cl)s1.
What is the InChIKey of N-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is JFTIBWFVEQKHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O4S2/c1-12-2-9-18(30-12)20(27)23-11-19(26)24-17-10-15(7-8-16(17)22)31(28,29)25-14-5-3-13(21)4-6-14/h2-10,25H,11H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 498.41 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 4848431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).