2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide

C21H24N4O6S — CID 20865952

IUPAC2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H24N4O6S/c1-23(13-19(26)22-12-14-7-5-6-8-18(14)31-4)32(29,30)15-9-10-17-16(11-15)20(27)25(3)21(28)24(17)2/h5-11H,12-13H2,1-4H3,(H,22,26)
InChIKeyQIWPXXFFHIANAW-UHFFFAOYSA-N
MW460.51 g/mol
LogP0.18
Rot. Bonds7

About 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 20865952) has the molecular formula C21H24N4O6S and a molecular weight of 460.51 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID20865952
Molecular FormulaC21H24N4O6S
Molecular Weight460.51 g/mol
Exact Mass460.14
IUPAC Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H24N4O6S/c1-23(13-19(26)22-12-14-7-5-6-8-18(14)31-4)32(29,30)15-9-10-17-16(11-15)20(27)25(3)21(28)24(17)2/h5-11H,12-13H2,1-4H3,(H,22,26)
InChIKeyQIWPXXFFHIANAW-UHFFFAOYSA-N
XLogP0.18
TPSA119.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 20865972
N-cyclooctyl-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]acetamide
CID 20865917
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 46256226
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20901840
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-dipropylacetamide
CID 20865921
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide
CID 20865947
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20865951
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]acetamide
CID 53298120
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 20865974
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 20865946
N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259603
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 40606681

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 20865952) is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is QIWPXXFFHIANAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6S/c1-23(13-19(26)22-12-14-7-5-6-8-18(14)31-4)32(29,30)15-9-10-17-16(11-15)20(27)25(3)21(28)24(17)2/h5-11H,12-13H2,1-4H3,(H,22,26).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 460.51 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20865952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).