3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide

C14H20N2O4S — CID 94097094

IUPAC3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CC[C@H]2CCCO2)cc1
InChIInChI=1S/C14H20N2O4S/c15-21(18,19)13-6-3-11(4-7-13)10-16-14(17)8-5-12-2-1-9-20-12/h3-4,6-7,12H,1-2,5,8-10H2,(H,16,17)(H2,15,18,19)/t12-/m1/s1
InChIKeyVZSRQULRSUHBQL-GFCCVEGCSA-N
MW312.39 g/mol
LogP0.91
Rot. Bonds6

About 3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide

3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 94097094) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID94097094
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CC[C@H]2CCCO2)cc1
InChIInChI=1S/C14H20N2O4S/c15-21(18,19)13-6-3-11(4-7-13)10-16-14(17)8-5-12-2-1-9-20-12/h3-4,6-7,12H,1-2,5,8-10H2,(H,16,17)(H2,15,18,19)/t12-/m1/s1
InChIKeyVZSRQULRSUHBQL-GFCCVEGCSA-N
XLogP0.91
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2431253
N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide
CID 115621995
N-[[4-(chloromethyl)phenyl]methyl]-3-(oxan-2-yl)propanamide
CID 107233408
1-(oxolan-2-ylmethyl)-3-[(4-sulfamoylphenyl)methyl]thiourea
CID 2954154
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 34685373
2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60769664
4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 46560251
4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119296365
N-[2-(oxan-2-yl)ethyl]-4-sulfamoylbenzamide
CID 103993185
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113117302
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(oxan-2-yl)propanamide
CID 105061488
N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113105545

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 94097094) is 3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide is NS(=O)(=O)c1ccc(CNC(=O)CC[C@H]2CCCO2)cc1.
What is the InChIKey of 3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is VZSRQULRSUHBQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O4S/c15-21(18,19)13-6-3-11(4-7-13)10-16-14(17)8-5-12-2-1-9-20-12/h3-4,6-7,12H,1-2,5,8-10H2,(H,16,17)(H2,15,18,19)/t12-/m1/s1.
What are the key properties of 3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide?
3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 312.39 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 94097094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).