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

C23H28ClN3O5S — CID 3206899

IUPACN-[(2-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)Cc2ccccc2Cl)cc1
InChIInChI=1S/C23H28ClN3O5S/c1-17-8-10-20(11-9-17)33(30,31)26-14-23(29)27(15-18-5-2-3-7-21(18)24)16-22(28)25-13-19-6-4-12-32-19/h2-3,5,7-11,19,26H,4,6,12-16H2,1H3,(H,25,28)
InChIKeyPOVDDLFERJGTTC-UHFFFAOYSA-N
MW494.01 g/mol
LogP2.25
Rot. Bonds10

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

N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3206899) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3206899
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC NameN-[(2-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)Cc2ccccc2Cl)cc1
InChIInChI=1S/C23H28ClN3O5S/c1-17-8-10-20(11-9-17)33(30,31)26-14-23(29)27(15-18-5-2-3-7-21(18)24)16-22(28)25-13-19-6-4-12-32-19/h2-3,5,7-11,19,26H,4,6,12-16H2,1H3,(H,25,28)
InChIKeyPOVDDLFERJGTTC-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-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3206899) is N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-[(2-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)Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is POVDDLFERJGTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-17-8-10-20(11-9-17)33(30,31)26-14-23(29)27(15-18-5-2-3-7-21(18)24)16-22(28)25-13-19-6-4-12-32-19/h2-3,5,7-11,19,26H,4,6,12-16H2,1H3,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
N-[(2-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-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3206899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).