N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide

C17H19ClN2O3S — CID 1095286

IUPACN-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-13-8-9-15(18)10-16(13)20(24(2,22)23)12-17(21)19-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyUROJMWCVQRVERX-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.73
Rot. Bonds6

About N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide

N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 1095286) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID1095286
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-13-8-9-15(18)10-16(13)20(24(2,22)23)12-17(21)19-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyUROJMWCVQRVERX-UHFFFAOYSA-N
XLogP2.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)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

N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 3465681
N-(2-benzylsulfanylethyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 51342885
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 53279484
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 3700532
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
CID 30222894
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 126035767
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113144052
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125072929
N-butan-2-yl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2889765
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885253

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide (CID 1095286) is N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide is Cc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is UROJMWCVQRVERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-13-8-9-15(18)10-16(13)20(24(2,22)23)12-17(21)19-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide?
N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 366.87 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1095286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).