N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

C23H28ClN3O5S — CID 3206901

IUPACN-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H28ClN3O5S/c1-17-4-10-21(11-5-17)33(30,31)26-14-23(29)27(15-18-6-8-19(24)9-7-18)16-22(28)25-13-20-3-2-12-32-20/h4-11,20,26H,2-3,12-16H2,1H3,(H,25,28)
InChIKeyNMHNSSWAGWFRBM-UHFFFAOYSA-N
MW494.01 g/mol
LogP2.25
Rot. Bonds10

About N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3206901) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3206901
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H28ClN3O5S/c1-17-4-10-21(11-5-17)33(30,31)26-14-23(29)27(15-18-6-8-19(24)9-7-18)16-22(28)25-13-20-3-2-12-32-20/h4-11,20,26H,2-3,12-16H2,1H3,(H,25,28)
InChIKeyNMHNSSWAGWFRBM-UHFFFAOYSA-N
XLogP2.25
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(tetrahydro-furan-2-ylmethyl)-2-(toluene-4-sulfonylamino)-acetamide
CID 3206892
N~2~-(4-chlorobenzyl)-N~2~-(methylsulfonyl)-N~1~-(tetrahydro-2-furanylmethyl)glycinamide
CID 2967191
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-(Benzylcarbamoyl-methyl)-2-(4-fluoro-benzenesulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207012
2-(4-Chloro-benzenesulfonylamino)-N-(phenethylcarbamoyl-methyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207101
2-(4-Chloro-benzenesulfonylamino)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-N-p-tolyl-acetamide
CID 3207136
2-[(2-Benzenesulfonylamino-acetyl)-benzyl-amino]-3-methyl-N-(tetrahydro-furan-2-ylmethyl)-butyramide
CID 3207206
2-[(2-Benzenesulfonylamino-acetyl)-benzyl-amino]-pentanoic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 3207207
N1-(4-chlorobenzyl)-N2-((3-((2,5-difluorophenyl)sulfonyl)oxazolidin-2-yl)methyl)oxalamide
CID 18561455
N1-((3-((4-chlorophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-(4-sulfamoylphenethyl)oxalamide
CID 18561505

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3206901) is N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is NMHNSSWAGWFRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-17-4-10-21(11-5-17)33(30,31)26-14-23(29)27(15-18-6-8-19(24)9-7-18)16-22(28)25-13-20-3-2-12-32-20/h4-11,20,26H,2-3,12-16H2,1H3,(H,25,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 494.01 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3206901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).