4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

C18H17N3O5S — CID 55379171

IUPAC4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESO=C1COc2ccc(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)cc2N1
InChIInChI=1S/C18H17N3O5S/c22-17-10-26-16-8-5-13(9-15(16)20-17)19-18(23)11-1-6-14(7-2-11)27(24,25)21-12-3-4-12/h1-2,5-9,12,21H,3-4,10H2,(H,19,23)(H,20,22)
InChIKeyFIEKCBXVBNDECD-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.71
Rot. Bonds5

About 4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (PubChem CID 55379171) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
PubChem CID55379171
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESO=C1COc2ccc(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)cc2N1
InChIInChI=1S/C18H17N3O5S/c22-17-10-26-16-8-5-13(9-15(16)20-17)19-18(23)11-1-6-14(7-2-11)27(24,25)21-12-3-4-12/h1-2,5-9,12,21H,3-4,10H2,(H,19,23)(H,20,22)
InChIKeyFIEKCBXVBNDECD-UHFFFAOYSA-N
XLogP1.71
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 17443857
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-5-sulfamoylthiophene-3-carboxamide
CID 55462745
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
4-(3,5-dimethylpyrazol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 35529721
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
3-methyl-4-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 34040603
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55618967

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (CID 55379171) is 4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is O=C1COc2ccc(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)cc2N1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is FIEKCBXVBNDECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c22-17-10-26-16-8-5-13(9-15(16)20-17)19-18(23)11-1-6-14(7-2-11)27(24,25)21-12-3-4-12/h1-2,5-9,12,21H,3-4,10H2,(H,19,23)(H,20,22).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 387.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 55379171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).