2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide

C20H24N2O4S — CID 1025737

IUPAC2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-4-6-16(7-5-15)13-20(23)22-17-8-10-19(11-9-17)27(24,25)21-14-18-3-2-12-26-18/h4-11,18,21H,2-3,12-14H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyBWOGQSCPYZXGNI-SFHVURJKSA-N
MW388.49 g/mol
LogP2.63
Rot. Bonds7

About 2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide

2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide (PubChem CID 1025737) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
PubChem CID1025737
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15-4-6-16(7-5-15)13-20(23)22-17-8-10-19(11-9-17)27(24,25)21-14-18-3-2-12-26-18/h4-11,18,21H,2-3,12-14H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyBWOGQSCPYZXGNI-SFHVURJKSA-N
XLogP2.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105820
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 23722959
2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17161178
N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 17161298
3-benzylsulfonyl-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 2974345
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-(2,4-dimethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428381
[2-(4-methylphenyl)-2-oxoethyl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42983106
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
N-[3-oxo-3-[4-(oxolan-2-ylmethylsulfamoyl)anilino]propyl]benzamide
CID 17154597
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981233

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide (CID 1025737) is 2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide is Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide?
The InChIKey is BWOGQSCPYZXGNI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-4-6-16(7-5-15)13-20(23)22-17-8-10-19(11-9-17)27(24,25)21-14-18-3-2-12-26-18/h4-11,18,21H,2-3,12-14H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of 2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide?
2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide has a molecular weight of 388.49 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1025737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).