N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide

C20H23N3O5S — CID 20914837

IUPACN-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)NC(C)C)cc32)c1
InChIInChI=1S/C20H23N3O5S/c1-13(2)22-29(26,27)16-7-8-18-17(10-16)23(20(25)12-28-18)11-19(24)21-15-6-4-5-14(3)9-15/h4-10,13,22H,11-12H2,1-3H3,(H,21,24)
InChIKeyPBSJUWYHNDDKPA-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.05
Rot. Bonds6

About N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide

N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide (PubChem CID 20914837) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide
PubChem CID20914837
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)NC(C)C)cc32)c1
InChIInChI=1S/C20H23N3O5S/c1-13(2)22-29(26,27)16-7-8-18-17(10-16)23(20(25)12-28-18)11-19(24)21-15-6-4-5-14(3)9-15/h4-10,13,22H,11-12H2,1-3H3,(H,21,24)
InChIKeyPBSJUWYHNDDKPA-UHFFFAOYSA-N
XLogP2.05
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
N,N-diethyl-4-[2-(3-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012392
2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20900883
2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-4-yl)-N-propan-2-ylacetamide
CID 20861558
N-(3-methylphenyl)-2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28695748
N-[2-(4-methylphenyl)ethyl]-2-[3-oxo-7-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide
CID 126459616
N-(4-chloro-3-methylphenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18773554
N-(3-methylphenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9038995
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
2-[6-[(2-fluoro-4-methylphenyl)sulfamoyl]-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 30766281
2-[6-(cyclopentylsulfamoyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(2-ethylphenyl)acetamide
CID 20914115
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 954212

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide (CID 20914837) is N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide is Cc1cccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)NC(C)C)cc32)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide?
The InChIKey is PBSJUWYHNDDKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-13(2)22-29(26,27)16-7-8-18-17(10-16)23(20(25)12-28-18)11-19(24)21-15-6-4-5-14(3)9-15/h4-10,13,22H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide?
N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 417.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 20914837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).