2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide

C23H28ClN3O5S — CID 3207101

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C23H28ClN3O5S/c24-19-8-10-21(11-9-19)33(30,31)26-15-23(29)27(16-20-7-4-14-32-20)17-22(28)25-13-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,26H,4,7,12-17H2,(H,25,28)
InChIKeyBVWFDKQGBRODTB-UHFFFAOYSA-N
MW494.01 g/mol
LogP1.98
Rot. Bonds11

About 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide

2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide (PubChem CID 3207101) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
PubChem CID3207101
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
SMILESO=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1
InChIInChI=1S/C23H28ClN3O5S/c24-19-8-10-21(11-9-19)33(30,31)26-15-23(29)27(16-20-7-4-14-32-20)17-22(28)25-13-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,26H,4,7,12-17H2,(H,25,28)
InChIKeyBVWFDKQGBRODTB-UHFFFAOYSA-N
XLogP1.98
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)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-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2971829
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 3130118
N-(2-Chloro-benzyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206899
N-(4-Chloro-benzyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206901
N-(Benzylcarbamoyl-methyl)-2-(4-fluoro-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207012
2-(4-Chloro-benzenesulfonylamino)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-N-p-tolyl-acetamide
CID 3207136
N1-((3-((4-chlorophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-(4-sulfamoylphenethyl)oxalamide
CID 18561505
N-(Benzylcarbamoyl-methyl)-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 645519
2-Benzenesulfonylamino-N-phenethyl-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 651310
2-[Cyclohexyl-(toluene-4-sulfonyl)-amino]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3149543
N-Cyclohexylcarbamoylmethyl-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 3206886
2-(4-Fluoro-benzenesulfonylamino)-N-(phenethylcarbamoyl-methyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207019

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide (CID 3207101) is 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide is O=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide?
The InChIKey is BVWFDKQGBRODTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c24-19-8-10-21(11-9-19)33(30,31)26-15-23(29)27(16-20-7-4-14-32-20)17-22(28)25-13-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,26H,4,7,12-17H2,(H,25,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide has a molecular weight of 494.01 g/mol, XLogP of 1.98, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide is sourced from PubChem (CID 3207101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).