1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C17H20N2O3S2 — CID 3245271

IUPAC1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccs3)ccc21
InChIInChI=1S/C17H20N2O3S2/c1-2-17(20)19-9-3-5-13-11-15(7-8-16(13)19)24(21,22)18-12-14-6-4-10-23-14/h4,6-8,10-11,18H,2-3,5,9,12H2,1H3
InChIKeySVVHBNMRZYXOEU-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.92
Rot. Bonds5

About 1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 3245271) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID3245271
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccs3)ccc21
InChIInChI=1S/C17H20N2O3S2/c1-2-17(20)19-9-3-5-13-11-15(7-8-16(13)19)24(21,22)18-12-14-6-4-10-23-14/h4,6-8,10-11,18H,2-3,5,9,12H2,1H3
InChIKeySVVHBNMRZYXOEU-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-5-{[(2-thienylmethyl)amino]sulfonyl}indolin-2-one
CID 1511491
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-2-ylacetamide
CID 2931550
2-methyl-1-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole
CID 2999266
1-acetyl-N-benzyl-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3238596
1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3239207
1-acetyl-N-butyl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3239759
1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3243437
1-acetyl-N,N-dipropyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3244811
1-acetyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 4248611
4-Methyl-N-[1-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroquinolin-6-YL]benzene-1-sulfonamide
CID 7498888
N-propyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7586804
N-prop-2-enyl-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7586806

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 3245271) is 1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is CCC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccs3)ccc21.
What is the InChIKey of 1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is SVVHBNMRZYXOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-2-17(20)19-9-3-5-13-11-15(7-8-16(13)19)24(21,22)18-12-14-6-4-10-23-14/h4,6-8,10-11,18H,2-3,5,9,12H2,1H3.
What are the key properties of 1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 364.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 3245271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).