2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide

C16H17N3O4S2 — CID 39215800

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)CCC(=O)N2)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H17N3O4S2/c1-19(25(22,23)16-3-2-8-24-16)10-15(21)17-12-5-6-13-11(9-12)4-7-14(20)18-13/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,17,21)(H,18,20)
InChIKeyNIJONBUNOLSXKW-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.89
Rot. Bonds5

About 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide (PubChem CID 39215800) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
PubChem CID39215800
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)CCC(=O)N2)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H17N3O4S2/c1-19(25(22,23)16-3-2-8-24-16)10-15(21)17-12-5-6-13-11(9-12)4-7-14(20)18-13/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,17,21)(H,18,20)
InChIKeyNIJONBUNOLSXKW-UHFFFAOYSA-N
XLogP1.89
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4824237
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20862437
N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2479907
N-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]benzamide
CID 9429046
N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4820945
N-(3,4-dimethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282133
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 55489697
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 166205942
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7419991
N-(4-ethylphenyl)-2-[methyl-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]amino]acetamide
CID 46282109
N-(9-ethylcarbazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30271978

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide (CID 39215800) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide is CN(CC(=O)Nc1ccc2c(c1)CCC(=O)N2)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
The InChIKey is NIJONBUNOLSXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-19(25(22,23)16-3-2-8-24-16)10-15(21)17-12-5-6-13-11(9-12)4-7-14(20)18-13/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide is sourced from PubChem (CID 39215800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).