N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide

C12H14N2O4S — CID 167812573

IUPACN-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide
SMILESCCn1c(=O)oc2cc(NS(=O)(=O)C3CC3)ccc21
InChIInChI=1S/C12H14N2O4S/c1-2-14-10-6-3-8(7-11(10)18-12(14)15)13-19(16,17)9-4-5-9/h3,6-7,9,13H,2,4-5H2,1H3
InChIKeyNQWMFYLQBNBDMY-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.52
Rot. Bonds4

About N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide

N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide (PubChem CID 167812573) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide
PubChem CID167812573
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC NameN-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide
SMILESCCn1c(=O)oc2cc(NS(=O)(=O)C3CC3)ccc21
InChIInChI=1S/C12H14N2O4S/c1-2-14-10-6-3-8(7-11(10)18-12(14)15)13-19(16,17)9-4-5-9/h3,6-7,9,13H,2,4-5H2,1H3
InChIKeyNQWMFYLQBNBDMY-UHFFFAOYSA-N
XLogP1.52
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide
CID 46346405
N-(cyclopentylmethyl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110307463
3-ethyl-N-(3-methylsulfanylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648252
3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63839677
3-ethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-benzoxazole-6-sulfonamide
CID 92648237
N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346439
3-ethyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299879
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62298981
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346447

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide?
The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide (CID 167812573) is N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide is CCn1c(=O)oc2cc(NS(=O)(=O)C3CC3)ccc21.
What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide?
The InChIKey is NQWMFYLQBNBDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-2-14-10-6-3-8(7-11(10)18-12(14)15)13-19(16,17)9-4-5-9/h3,6-7,9,13H,2,4-5H2,1H3.
What are the key properties of N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide?
N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide has a molecular weight of 282.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide is sourced from PubChem (CID 167812573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).