2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C22H25N3O7S — CID 20903544

IUPAC2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc(OC)c1OC
InChIInChI=1S/C22H25N3O7S/c1-25(33(28,29)16-6-7-17-15(11-16)5-8-20(26)24-17)13-21(27)23-12-14-9-18(30-2)22(32-4)19(10-14)31-3/h5-11H,12-13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyGKSSGRGLJDNJFH-UHFFFAOYSA-N
MW475.52 g/mol
LogP1.49
Rot. Bonds9

About 2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 20903544) has the molecular formula C22H25N3O7S and a molecular weight of 475.52 g/mol. Its IUPAC name is 2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID20903544
Molecular FormulaC22H25N3O7S
Molecular Weight475.52 g/mol
Exact Mass475.14
IUPAC Name2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc(OC)c1OC
InChIInChI=1S/C22H25N3O7S/c1-25(33(28,29)16-6-7-17-15(11-16)5-8-20(26)24-17)13-21(27)23-12-14-9-18(30-2)22(32-4)19(10-14)31-3/h5-11H,12-13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyGKSSGRGLJDNJFH-UHFFFAOYSA-N
XLogP1.49
TPSA127.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

N-(4-methylcyclohexyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20903521
N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20903526
2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 46422875
2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30220187
2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30221910
N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548596
N-[(2,6-dimethoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794222
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28561285
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 43894513
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 46409598
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256526

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 20903544) is 2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc(OC)c1OC.
What is the InChIKey of 2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is GKSSGRGLJDNJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O7S/c1-25(33(28,29)16-6-7-17-15(11-16)5-8-20(26)24-17)13-21(27)23-12-14-9-18(30-2)22(32-4)19(10-14)31-3/h5-11H,12-13H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 475.52 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20903544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).