N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide

C18H19N3O6S — CID 22582533

IUPACN-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide
SMILESCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H19N3O6S/c1-21(10-17(22)19-13-5-3-4-6-15(13)26-2)28(24,25)12-7-8-16-14(9-12)20-18(23)11-27-16/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAIXLTZMQGYCNSO-UHFFFAOYSA-N
MW405.43 g/mol
LogP1.29
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide

N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide (PubChem CID 22582533) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide
PubChem CID22582533
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC NameN-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide
SMILESCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H19N3O6S/c1-21(10-17(22)19-13-5-3-4-6-15(13)26-2)28(24,25)12-7-8-16-14(9-12)20-18(23)11-27-16/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAIXLTZMQGYCNSO-UHFFFAOYSA-N
XLogP1.29
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282164
N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
N-[(4-chlorophenyl)methyl]-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide
CID 22582558
N-(2,5-dimethoxyphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide
CID 20909855
N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
CID 16615850
2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid
CID 120666197
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548269
4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]-N-(2-methoxyphenyl)butanamide
CID 18593158
3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 16615861
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110390306
7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one
CID 43479244
N-(2-ethoxyphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 2196369

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide (CID 22582533) is N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide is COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide?
The InChIKey is AIXLTZMQGYCNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-21(10-17(22)19-13-5-3-4-6-15(13)26-2)28(24,25)12-7-8-16-14(9-12)20-18(23)11-27-16/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide?
N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide has a molecular weight of 405.43 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 22582533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).