N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide

C20H18ClN3O4S2 — CID 3551334

IUPACN-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O4S2/c1-13-4-7-16(23-19(25)12-22-20(26)17-3-2-10-29-17)11-18(13)30(27,28)24-15-8-5-14(21)6-9-15/h2-11,24H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyAUPIVBIONLFJIQ-UHFFFAOYSA-N
MW463.97 g/mol
LogP3.88
Rot. Bonds7

About N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3551334) has the molecular formula C20H18ClN3O4S2 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3551334
Molecular FormulaC20H18ClN3O4S2
Molecular Weight463.97 g/mol
Exact Mass463.04
IUPAC NameN-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O4S2/c1-13-4-7-16(23-19(25)12-22-20(26)17-3-2-10-29-17)11-18(13)30(27,28)24-15-8-5-14(21)6-9-15/h2-11,24H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyAUPIVBIONLFJIQ-UHFFFAOYSA-N
XLogP3.88
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Segatroxaban
CID 67155200
5-chloro-N-((3R,4S)-1-(methylsulfonyl)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)thiophene-2-carboxamide
CID 44434834
5-chloro-N-((3R,4S)-1-(ethylsulfonyl)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)thiophene-2-carboxamide
CID 44434835
5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxo-pyrrolidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide hydro chloride
CID 67155199
(S)-3-[(5-Chloro-thiophene-2-carbonyl)-amino]-2-[2-methyl-3-(2-oxo-pyrrolidin-1-yl)-benzenesulfonylamino]-propionic acid methyl ester
CID 67155499
5-chloro-N-((3R,4S)-1-(isopropylsulfonyl)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)thiophene-2-carboxamide
CID 44434836
N-(2-((2-chloro-5-(N-(4-chlorophenyl)sulfamoyl)phenyl)amino)-2-oxoethyl)-5-methylthiophene-2-carboxamide
CID 4848431
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide
CID 3926622
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 4194680
N-[5-[(4-chlorophenyl)sulfamoyl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
CID 4282422
N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4648331
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 6363634

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide (CID 3551334) is N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is AUPIVBIONLFJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S2/c1-13-4-7-16(23-19(25)12-22-20(26)17-3-2-10-29-17)11-18(13)30(27,28)24-15-8-5-14(21)6-9-15/h2-11,24H,12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3551334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).