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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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).