2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide

C17H15N3O5S — CID 46680428

IUPAC2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C17H15N3O5S/c1-2-9-18-16(21)12-5-3-4-6-13(12)20-26(23,24)11-7-8-14-15(10-11)25-17(22)19-14/h2-8,10,20H,1,9H2,(H,18,21)(H,19,22)
InChIKeyZVYISJCENIBBMN-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.84
Rot. Bonds6

About 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide

2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide (PubChem CID 46680428) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide
PubChem CID46680428
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Name2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C17H15N3O5S/c1-2-9-18-16(21)12-5-3-4-6-13(12)20-26(23,24)11-7-8-14-15(10-11)25-17(22)19-14/h2-8,10,20H,1,9H2,(H,18,21)(H,19,22)
InChIKeyZVYISJCENIBBMN-UHFFFAOYSA-N
XLogP1.84
TPSA121.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-oxochromen-6-yl)sulfonylamino]-N-prop-2-enylbenzamide
CID 43053206
ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 94109831
2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 92683033
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 39827756
N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55879588
N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110778576
2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 7933003
2-[4-hydroxy-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]acetic acid
CID 108783001
N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 134055659
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide
CID 41448837
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43018778
2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 51170213

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide (CID 46680428) is 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide?
The InChIKey is ZVYISJCENIBBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-2-9-18-16(21)12-5-3-4-6-13(12)20-26(23,24)11-7-8-14-15(10-11)25-17(22)19-14/h2-8,10,20H,1,9H2,(H,18,21)(H,19,22).
What are the key properties of 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide?
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide has a molecular weight of 373.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 46680428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).