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

C22H26ClN3O5S — CID 3206947

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

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

N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3206947) has the molecular formula C22H26ClN3O5S and a molecular weight of 479.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3206947
Molecular FormulaC22H26ClN3O5S
Molecular Weight479.99 g/mol
Exact Mass479.13
IUPAC NameN-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H26ClN3O5S/c1-16-4-10-20(11-5-16)32(29,30)25-14-22(28)26(18-8-6-17(23)7-9-18)15-21(27)24-13-19-3-2-12-31-19/h4-11,19,25H,2-3,12-15H2,1H3,(H,24,27)
InChIKeyLUOZSEVRQFGYML-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-[(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3207132
2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113171488
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1166795
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26815378
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1357592
(2R)-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 124765244
3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide
CID 3206894
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 50807919
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3984975

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3206947) is N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is LUOZSEVRQFGYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O5S/c1-16-4-10-20(11-5-16)32(29,30)25-14-22(28)26(18-8-6-17(23)7-9-18)15-21(27)24-13-19-3-2-12-31-19/h4-11,19,25H,2-3,12-15H2,1H3,(H,24,27).
What are the key properties of N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-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 N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3206947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).