4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid

C16H16N2O5S2 — CID 167956524

IUPAC4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid
SMILESCC(=O)Nc1cccc2c1CCCN2S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C16H16N2O5S2/c1-10(19)17-13-5-2-6-14-12(13)4-3-7-18(14)25(22,23)11-8-15(16(20)21)24-9-11/h2,5-6,8-9H,3-4,7H2,1H3,(H,17,19)(H,20,21)
InChIKeyLPIQEDQBGMNYPO-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.55
Rot. Bonds4

About 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid

4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid (PubChem CID 167956524) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid
PubChem CID167956524
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC Name4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid
SMILESCC(=O)Nc1cccc2c1CCCN2S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C16H16N2O5S2/c1-10(19)17-13-5-2-6-14-12(13)4-3-7-18(14)25(22,23)11-8-15(16(20)21)24-9-11/h2,5-6,8-9H,3-4,7H2,1H3,(H,17,19)(H,20,21)
InChIKeyLPIQEDQBGMNYPO-UHFFFAOYSA-N
XLogP2.55
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-propylthiophene-2-carboxamide
CID 6503799
2-(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 119955425
N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
CID 60534198
4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63616973
4-[(5-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 139013412
4-(3-acetamidopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61068084
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60858133
1-thiophen-3-ylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 146124471
4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 22307959
4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-methylbenzamide
CID 136524519
4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61062569

Frequently Asked Questions

What is the IUPAC name of 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid (CID 167956524) is 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid is CC(=O)Nc1cccc2c1CCCN2S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid?
The InChIKey is LPIQEDQBGMNYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c1-10(19)17-13-5-2-6-14-12(13)4-3-7-18(14)25(22,23)11-8-15(16(20)21)24-9-11/h2,5-6,8-9H,3-4,7H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid?
4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid has a molecular weight of 380.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 167956524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).