2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C20H24N2O4S — CID 126337837

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-9-11-17(12-10-15)27(24,25)22(2)19-8-4-3-7-18(19)20(23)21-14-16-6-5-13-26-16/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyOKLBLAVMYAURHG-INIZCTEOSA-N
MW388.49 g/mol
LogP2.73
Rot. Bonds6

About 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 126337837) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID126337837
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-9-11-17(12-10-15)27(24,25)22(2)19-8-4-3-7-18(19)20(23)21-14-16-6-5-13-26-16/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyOKLBLAVMYAURHG-INIZCTEOSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(methylsulfonyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 2955389
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 989154
4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1118210
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1129536
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3143342
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2897190
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1109412
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1119935
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 27055363
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40565110

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 126337837) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is OKLBLAVMYAURHG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-9-11-17(12-10-15)27(24,25)22(2)19-8-4-3-7-18(19)20(23)21-14-16-6-5-13-26-16/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 126337837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).