2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C22H28N2O4S — CID 1119935

IUPAC2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C22H28N2O4S/c1-18-9-11-21(12-10-18)29(26,27)24(14-13-19-6-3-2-4-7-19)17-22(25)23-16-20-8-5-15-28-20/h2-4,6-7,9-12,20H,5,8,13-17H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyGYNJLMHAAXAEQY-FQEVSTJZSA-N
MW416.54 g/mol
LogP2.52
Rot. Bonds9

About 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 1119935) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID1119935
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C22H28N2O4S/c1-18-9-11-21(12-10-18)29(26,27)24(14-13-19-6-3-2-4-7-19)17-22(25)23-16-20-8-5-15-28-20/h2-4,6-7,9-12,20H,5,8,13-17H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyGYNJLMHAAXAEQY-FQEVSTJZSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1109412
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40565110
2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1307765
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1166795
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1073046
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1266008
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(E)-[4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethoxy]phenyl]methylideneamino]acetamide
CID 124539686
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3143342
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1129536

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 1119935) is 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is GYNJLMHAAXAEQY-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-18-9-11-21(12-10-18)29(26,27)24(14-13-19-6-3-2-4-7-19)17-22(25)23-16-20-8-5-15-28-20/h2-4,6-7,9-12,20H,5,8,13-17H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 416.54 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 1119935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).