N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide

C15H16N2O3S2 — CID 110788681

IUPACN-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1CCc2cc(CCNS(=O)(=O)c3cccs3)ccc2N1
InChIInChI=1S/C15H16N2O3S2/c18-14-6-4-12-10-11(3-5-13(12)17-14)7-8-16-22(19,20)15-2-1-9-21-15/h1-3,5,9-10,16H,4,6-8H2,(H,17,18)
InChIKeyPVWIMZAYHKDUJZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.15
Rot. Bonds5

About N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide

N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110788681) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110788681
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1CCc2cc(CCNS(=O)(=O)c3cccs3)ccc2N1
InChIInChI=1S/C15H16N2O3S2/c18-14-6-4-12-10-11(3-5-13(12)17-14)7-8-16-22(19,20)15-2-1-9-21-15/h1-3,5,9-10,16H,4,6-8H2,(H,17,18)
InChIKeyPVWIMZAYHKDUJZ-UHFFFAOYSA-N
XLogP2.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide
CID 110788676
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 3810708
N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 9301774
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
CID 82488863
N-[2-(1,3-benzoxazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110707437
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115215832
3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115152989
4-fluoro-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 110788495
2-oxo-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115175903

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide (CID 110788681) is N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide is O=C1CCc2cc(CCNS(=O)(=O)c3cccs3)ccc2N1.
What is the InChIKey of N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is PVWIMZAYHKDUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c18-14-6-4-12-10-11(3-5-13(12)17-14)7-8-16-22(19,20)15-2-1-9-21-15/h1-3,5,9-10,16H,4,6-8H2,(H,17,18).
What are the key properties of N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110788681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).