N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide

C13H18N2O4S — CID 47364042

IUPACN-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1CCOC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-9(15-13(16)11-6-7-19-8-11)10-2-4-12(5-3-10)20(14,17)18/h2-5,9,11H,6-8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCWBCMMHZLHLZIV-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.55
Rot. Bonds4

About N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide

N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide (PubChem CID 47364042) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
PubChem CID47364042
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1CCOC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H18N2O4S/c1-9(15-13(16)11-6-7-19-8-11)10-2-4-12(5-3-10)20(14,17)18/h2-5,9,11H,6-8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCWBCMMHZLHLZIV-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3S)-oxolan-3-yl]methyl]-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 97088481
(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide
CID 94824757
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848
4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
CID 63360384
1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
CID 4884408
(2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39996118
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
N-(2,6-dimethyl-4-sulfamoylphenyl)oxolane-3-carboxamide
CID 61277687
(3R)-1-(furan-2-carbonyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 32614549
1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
(3S)-1-(4-chlorobenzoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 41079088

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide (CID 47364042) is N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide is CC(NC(=O)C1CCOC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide?
The InChIKey is CWBCMMHZLHLZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9(15-13(16)11-6-7-19-8-11)10-2-4-12(5-3-10)20(14,17)18/h2-5,9,11H,6-8H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide?
N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 47364042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).