2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide

C17H20ClNO4S — CID 9161526

IUPAC2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)[C@@H](CNC(=O)CCl)c2ccco2)cc1
InChIInChI=1S/C17H20ClNO4S/c1-12(2)13-5-7-14(8-6-13)24(21,22)16(11-19-17(20)10-18)15-4-3-9-23-15/h3-9,12,16H,10-11H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyGVNILBBSWCDLJJ-INIZCTEOSA-N
MW369.87 g/mol
LogP3.27
Rot. Bonds7

About 2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide

2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide (PubChem CID 9161526) has the molecular formula C17H20ClNO4S and a molecular weight of 369.87 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide
PubChem CID9161526
Molecular FormulaC17H20ClNO4S
Molecular Weight369.87 g/mol
Exact Mass369.08
IUPAC Name2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)[C@@H](CNC(=O)CCl)c2ccco2)cc1
InChIInChI=1S/C17H20ClNO4S/c1-12(2)13-5-7-14(8-6-13)24(21,22)16(11-19-17(20)10-18)15-4-3-9-23-15/h3-9,12,16H,10-11H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyGVNILBBSWCDLJJ-INIZCTEOSA-N
XLogP3.27
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]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-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]pentanamide
CID 9161490
1-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3-propylurea
CID 9161691
N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]-3,4-dimethylbenzamide
CID 9161587
N'-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide
CID 9161759
N'-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]oxamide
CID 9161752
N-[(2R)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]propane-1-sulfonamide
CID 9161431
N-[(2S)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-2-chloroacetamide
CID 9160281
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 7268165
4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
CID 7268134
2-(4-chlorophenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]acetamide
CID 40774896
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555075

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide?
The IUPAC name of 2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide (CID 9161526) is 2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide is CC(C)c1ccc(S(=O)(=O)[C@@H](CNC(=O)CCl)c2ccco2)cc1.
What is the InChIKey of 2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide?
The InChIKey is GVNILBBSWCDLJJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20ClNO4S/c1-12(2)13-5-7-14(8-6-13)24(21,22)16(11-19-17(20)10-18)15-4-3-9-23-15/h3-9,12,16H,10-11H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide?
2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide has a molecular weight of 369.87 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-2-(furan-2-yl)-2-(4-propan-2-ylphenyl)sulfonylethyl]acetamide is sourced from PubChem (CID 9161526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).