2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide

C24H26ClN3O3S — CID 30206529

IUPAC2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCCN(C)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26ClN3O3S/c1-19-17-20(25)13-14-23(19)28(32(30,31)22-11-7-4-8-12-22)18-24(29)26-15-16-27(2)21-9-5-3-6-10-21/h3-14,17H,15-16,18H2,1-2H3,(H,26,29)
InChIKeyZJPQTEKDLCDESH-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.10
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide (PubChem CID 30206529) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide
PubChem CID30206529
Molecular FormulaC24H26ClN3O3S
Molecular Weight472.01 g/mol
Exact Mass471.14
IUPAC Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)NCCN(C)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26ClN3O3S/c1-19-17-20(25)13-14-23(19)28(32(30,31)22-11-7-4-8-12-22)18-24(29)26-15-16-27(2)21-9-5-3-6-10-21/h3-14,17H,15-16,18H2,1-2H3,(H,26,29)
InChIKeyZJPQTEKDLCDESH-UHFFFAOYSA-N
XLogP4.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methylbutyl)acetamide
CID 21372651
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210908
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[3-[(2-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30206601
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1103836
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
CID 126120768
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30217607
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
CID 2273343
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-prop-2-enylacetamide
CID 3138947
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide
CID 1314332
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30305010

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide (CID 30206529) is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide is Cc1cc(Cl)ccc1N(CC(=O)NCCN(C)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide?
The InChIKey is ZJPQTEKDLCDESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-19-17-20(25)13-14-23(19)28(32(30,31)22-11-7-4-8-12-22)18-24(29)26-15-16-27(2)21-9-5-3-6-10-21/h3-14,17H,15-16,18H2,1-2H3,(H,26,29).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide?
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide has a molecular weight of 472.01 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-(N-methylanilino)ethyl]acetamide is sourced from PubChem (CID 30206529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).