N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C14H19N3O4S — CID 4889482

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H19N3O4S/c1-2-17-7-3-4-10(17)9-15-22(19,20)11-5-6-12-13(8-11)21-14(18)16-12/h5-6,8,10,15H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyNBUFDAFIYAMOMG-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.88
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 4889482) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID4889482
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H19N3O4S/c1-2-17-7-3-4-10(17)9-15-22(19,20)11-5-6-12-13(8-11)21-14(18)16-12/h5-6,8,10,15H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyNBUFDAFIYAMOMG-UHFFFAOYSA-N
XLogP0.88
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-oxo-3-propan-2-yl-1,3-benzoxazole-6-sulfonamide
CID 51499702
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 140772672
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 127266419
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2574466
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110315678
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198
2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110405075
5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide
CID 92501377
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-4-pyridin-3-ylbenzenesulfonamide
CID 171914644

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 4889482) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is CCN1CCCC1CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is NBUFDAFIYAMOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-2-17-7-3-4-10(17)9-15-22(19,20)11-5-6-12-13(8-11)21-14(18)16-12/h5-6,8,10,15H,2-4,7,9H2,1H3,(H,16,18).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 4889482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).