3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide

C14H20N2O4S — CID 81425700

IUPAC3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-10-7-9-20-13(10)14(17)16-8-6-11-2-4-12(5-3-11)21(15,18)19/h2-5,10,13H,6-9H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyOQSPLGZHWKYOHL-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.42
Rot. Bonds5

About 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide

3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 81425700) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
PubChem CID81425700
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-10-7-9-20-13(10)14(17)16-8-6-11-2-4-12(5-3-11)21(15,18)19/h2-5,10,13H,6-9H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyOQSPLGZHWKYOHL-UHFFFAOYSA-N
XLogP0.42
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]oxolane-2-carboxamide
CID 81425841
2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60769664
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854
trans-(1S,3S)-2,2-dimethyl-3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95390266
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600
1-(oxan-4-ylmethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108912931
trans-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8019903
1-N-butan-2-yl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131648
(2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125435841
1-(2-methylpropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182044
2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 84575707

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide (CID 81425700) is 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide is CC1CCOC1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is OQSPLGZHWKYOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-7-9-20-13(10)14(17)16-8-6-11-2-4-12(5-3-11)21(15,18)19/h2-5,10,13H,6-9H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide?
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 81425700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).