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

C22H26ClN3O5S — CID 3207136

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCc1ccc(N(CC(=O)NCC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H26ClN3O5S/c1-16-4-8-18(9-5-16)26(15-21(27)24-13-19-3-2-12-31-19)22(28)14-25-32(29,30)20-10-6-17(23)7-11-20/h4-11,19,25H,2-3,12-15H2,1H3,(H,24,27)
InChIKeyBPFIZIYZYQDKIV-UHFFFAOYSA-N
MW479.99 g/mol
LogP2.26
Rot. Bonds9

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

2-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3207136) has the molecular formula C22H26ClN3O5S and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3207136
Molecular FormulaC22H26ClN3O5S
Molecular Weight479.99 g/mol
Exact Mass479.13
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCc1ccc(N(CC(=O)NCC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H26ClN3O5S/c1-16-4-8-18(9-5-16)26(15-21(27)24-13-19-3-2-12-31-19)22(28)14-25-32(29,30)20-10-6-17(23)7-11-20/h4-11,19,25H,2-3,12-15H2,1H3,(H,24,27)
InChIKeyBPFIZIYZYQDKIV-UHFFFAOYSA-N
XLogP2.26
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(4-Chloro-benzenesulfonylamino)-N-(phenethylcarbamoyl-methyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3207101
(2S)-1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 2312259
2-{[(4-chlorophenyl)sulfonyl]-3,4-dimethylanilino}-N-(tetrahydro-2-furanylmethyl)acetamide
CID 4415869
2-[(3-Chloro-4-methyl-phenyl)-methanesulfonyl-amino]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 649423
4-{[(4-chlorophenyl)sulfonyl](methyl)amino}-N-(tetrahydrofuran-2-ylmethyl)benzamide
CID 2972959
4-Chloro-N-(2-hydroxy-quinolin-3-ylmethyl)-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 3160815
N-(3-Fluoro-phenyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206940
N-(4-Chloro-benzyl)-2-(4-fluoro-benzenesulfonylamino)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 3207026
2-(4-Chloro-benzenesulfonylamino)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-N-m-tolyl-acetamide
CID 3207134

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3207136) is 2-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is Cc1ccc(N(CC(=O)NCC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is BPFIZIYZYQDKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O5S/c1-16-4-8-18(9-5-16)26(15-21(27)24-13-19-3-2-12-31-19)22(28)14-25-32(29,30)20-10-6-17(23)7-11-20/h4-11,19,25H,2-3,12-15H2,1H3,(H,24,27).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 479.99 g/mol, XLogP of 2.26, 9 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-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3207136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).