N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

C17H17N3O5S — CID 9188498

IUPACN-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1
InChIInChI=1S/C17H17N3O5S/c1-18-26(23,24)12-8-6-11(7-9-12)19-16(21)10-15-17(22)20-13-4-2-3-5-14(13)25-15/h2-9,15,18H,10H2,1H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyMZVTWHSOTPWYFW-OAHLLOKOSA-N
MW375.41 g/mol
LogP1.32
Rot. Bonds5

About N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (PubChem CID 9188498) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
PubChem CID9188498
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1
InChIInChI=1S/C17H17N3O5S/c1-18-26(23,24)12-8-6-11(7-9-12)19-16(21)10-15-17(22)20-13-4-2-3-5-14(13)25-15/h2-9,15,18H,10H2,1H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKeyMZVTWHSOTPWYFW-OAHLLOKOSA-N
XLogP1.32
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The IUPAC name of N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (CID 9188498) is N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.
What is the SMILES notation for N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The canonical SMILES for N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is CNS(=O)(=O)c1ccc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1.
What is the InChIKey of N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The InChIKey is MZVTWHSOTPWYFW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-18-26(23,24)12-8-6-11(7-9-12)19-16(21)10-15-17(22)20-13-4-2-3-5-14(13)25-15/h2-9,15,18H,10H2,1H3,(H,19,21)(H,20,22)/t15-/m1/s1.
What are the key properties of N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide has a molecular weight of 375.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is sourced from PubChem (CID 9188498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).