2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C22H28N2O4S — CID 1307765

IUPAC2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2cccc(C)c2)cc1
InChIInChI=1S/C22H28N2O4S/c1-17-8-10-21(11-9-17)29(26,27)24(15-19-6-3-5-18(2)13-19)16-22(25)23-14-20-7-4-12-28-20/h3,5-6,8-11,13,20H,4,7,12,14-16H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyMVHBPIRVKAPOLK-HXUWFJFHSA-N
MW416.54 g/mol
LogP2.79
Rot. Bonds8

About 2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 1307765) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID1307765
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2cccc(C)c2)cc1
InChIInChI=1S/C22H28N2O4S/c1-17-8-10-21(11-9-17)29(26,27)24(15-19-6-3-5-18(2)13-19)16-22(25)23-14-20-7-4-12-28-20/h3,5-6,8-11,13,20H,4,7,12,14-16H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyMVHBPIRVKAPOLK-HXUWFJFHSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.79
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-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1266008
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40565110
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
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1119935
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1327879
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 5037608
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2897190
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 126210808
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1276393
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1134632

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 1307765) is 2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2cccc(C)c2)cc1.
What is the InChIKey of 2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is MVHBPIRVKAPOLK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-8-10-21(11-9-17)29(26,27)24(15-19-6-3-5-18(2)13-19)16-22(25)23-14-20-7-4-12-28-20/h3,5-6,8-11,13,20H,4,7,12,14-16H2,1-2H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 416.54 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 1307765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).