2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide

C19H23ClN2O3S2 — CID 55334688

IUPAC2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1)C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C19H23ClN2O3S2/c1-14(16-10-6-7-11-17(16)20)21-19(23)18(12-13-26-2)22-27(24,25)15-8-4-3-5-9-15/h3-11,14,18,22H,12-13H2,1-2H3,(H,21,23)
InChIKeyQMQRIVMYIJZNNU-UHFFFAOYSA-N
MW426.99 g/mol
LogP3.62
Rot. Bonds9

About 2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide

2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide (PubChem CID 55334688) has the molecular formula C19H23ClN2O3S2 and a molecular weight of 426.99 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide
PubChem CID55334688
Molecular FormulaC19H23ClN2O3S2
Molecular Weight426.99 g/mol
Exact Mass426.08
IUPAC Name2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1)C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C19H23ClN2O3S2/c1-14(16-10-6-7-11-17(16)20)21-19(23)18(12-13-26-2)22-27(24,25)15-8-4-3-5-9-15/h3-11,14,18,22H,12-13H2,1-2H3,(H,21,23)
InChIKeyQMQRIVMYIJZNNU-UHFFFAOYSA-N
XLogP3.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide 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-(benzenesulfonamido)-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 112762191
2-(benzenesulfonamido)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 55982781
(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
N-[1-(1-adamantyl)ethyl]-2-(benzenesulfonamido)-4-methylsulfanylbutanamide
CID 112789579
(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide
CID 9412291
2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide
CID 51149693
(2R)-4-methylsulfanyl-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 35767047
2-(benzenesulfonamido)-N-[2-(2-methoxyethoxy)ethyl]-4-methylsulfanylbutanamide
CID 55685228
(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 26709302

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide (CID 55334688) is 2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide is CSCCC(NS(=O)(=O)c1ccccc1)C(=O)NC(C)c1ccccc1Cl.
What is the InChIKey of 2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide?
The InChIKey is QMQRIVMYIJZNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S2/c1-14(16-10-6-7-11-17(16)20)21-19(23)18(12-13-26-2)22-27(24,25)15-8-4-3-5-9-15/h3-11,14,18,22H,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide?
2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide has a molecular weight of 426.99 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 55334688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).