N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide

C13H18N2O4S — CID 65159878

IUPACN-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CC1CCCO1
InChIInChI=1S/C13H18N2O4S/c1-9-4-5-11(20(14,17)18)8-12(9)15-13(16)7-10-3-2-6-19-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyDWCJFOWMFPJTRY-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.15
Rot. Bonds4

About N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide

N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide (PubChem CID 65159878) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
PubChem CID65159878
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CC1CCCO1
InChIInChI=1S/C13H18N2O4S/c1-9-4-5-11(20(14,17)18)8-12(9)15-13(16)7-10-3-2-6-19-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyDWCJFOWMFPJTRY-UHFFFAOYSA-N
XLogP1.15
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155493
N-(2,6-dichloro-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155701
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60769664
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 7434884
N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide
CID 103144399
2-cyclobutyl-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 103164399
2-(1-aminocyclopentyl)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 64685240
5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 107908940

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide (CID 65159878) is N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)CC1CCCO1.
What is the InChIKey of N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is DWCJFOWMFPJTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9-4-5-11(20(14,17)18)8-12(9)15-13(16)7-10-3-2-6-19-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide?
N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 298.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 65159878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).