3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

C22H22ClN3O4S2 — CID 24979101

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C22H22ClN3O4S2/c1-2-26(15-21(27)24-14-17-8-6-12-31-17)22(28)16-7-5-9-18(13-16)32(29,30)25-20-11-4-3-10-19(20)23/h3-13,25H,2,14-15H2,1H3,(H,24,27)
InChIKeyIYMYLWYISDFUDJ-UHFFFAOYSA-N
MW492.02 g/mol
LogP3.98
Rot. Bonds9

About 3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (PubChem CID 24979101) has the molecular formula C22H22ClN3O4S2 and a molecular weight of 492.02 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
PubChem CID24979101
Molecular FormulaC22H22ClN3O4S2
Molecular Weight492.02 g/mol
Exact Mass491.07
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C22H22ClN3O4S2/c1-2-26(15-21(27)24-14-17-8-6-12-31-17)22(28)16-7-5-9-18(13-16)32(29,30)25-20-11-4-3-10-19(20)23/h3-13,25H,2,14-15H2,1H3,(H,24,27)
InChIKeyIYMYLWYISDFUDJ-UHFFFAOYSA-N
XLogP3.98
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-4-(3-(2-(5-chlorothiophen-2-yl)vinylsulfonamido)-2-oxopyrrolidin-1-yl)-3-fluoro-N-methylbenzamide
CID 46226323
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
[3-[[5-[[(4-Chlorobenzoyl)amino]methyl]thiophen-2-yl]sulfonylamino]phenyl]boronic acid
CID 52940004
5-chloro-N-((3R,4S)-1-(isopropylsulfonyl)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)thiophene-2-carboxamide
CID 44434836
(S)-N-(1-((4-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-1-oxo-3-(thiophen-2-yl)propan-2-yl)-4-fluorobenzamide
CID 142474771
N-(2-((2-chloro-5-(N-(4-chlorophenyl)sulfamoyl)phenyl)amino)-2-oxoethyl)-5-methylthiophene-2-carboxamide
CID 4848431
N-({5-[(2-chloroanilino)sulfonyl]-2-thienyl}methyl)benzamide
CID 2823685
N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 4229681
N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4648331
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4875494
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 3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (CID 24979101) is 3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is CCN(CC(=O)NCc1cccs1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The InChIKey is IYMYLWYISDFUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S2/c1-2-26(15-21(27)24-14-17-8-6-12-31-17)22(28)16-7-5-9-18(13-16)32(29,30)25-20-11-4-3-10-19(20)23/h3-13,25H,2,14-15H2,1H3,(H,24,27).
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide has a molecular weight of 492.02 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 24979101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).