2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C19H23ClN4O4S — CID 4846702

IUPAC2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O4S/c1-24(13-19(26)23-16-6-4-15(20)5-7-16)12-18(25)22-11-10-14-2-8-17(9-3-14)29(21,27)28/h2-9H,10-13H2,1H3,(H,22,25)(H,23,26)(H2,21,27,28)
InChIKeyJJGWOCRPVQWXQG-UHFFFAOYSA-N
MW438.94 g/mol
LogP1.22
Rot. Bonds9

About 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 4846702) has the molecular formula C19H23ClN4O4S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID4846702
Molecular FormulaC19H23ClN4O4S
Molecular Weight438.94 g/mol
Exact Mass438.11
IUPAC Name2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN4O4S/c1-24(13-19(26)23-16-6-4-15(20)5-7-16)12-18(25)22-11-10-14-2-8-17(9-3-14)29(21,27)28/h2-9H,10-13H2,1H3,(H,22,25)(H,23,26)(H2,21,27,28)
InChIKeyJJGWOCRPVQWXQG-UHFFFAOYSA-N
XLogP1.22
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[N-(4-Chlorobenzenesulfonyl)-N-(4-dimethylaminobenzyl)amino]-4-methylpentanoic acid amide
CID 59432818
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 2315573
1-(4-Chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4852464
N-(3-Chlorophenyl)-2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetamide
CID 1247140
2-[(2,4-dichlorophenyl)(phenylsulfonyl)amino]-N-(phenylethyl)acetamide
CID 2851193
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
N,N-Diethyl-2-[(4-ethyl-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 10475401
2-[(3-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44580808

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 4846702) is 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is JJGWOCRPVQWXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4S/c1-24(13-19(26)23-16-6-4-15(20)5-7-16)12-18(25)22-11-10-14-2-8-17(9-3-14)29(21,27)28/h2-9H,10-13H2,1H3,(H,22,25)(H,23,26)(H2,21,27,28).
What are the key properties of 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 438.94 g/mol, XLogP of 1.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 4846702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).