5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide

C18H22N2O3S2 — CID 7498939

IUPAC5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)s1
InChIInChI=1S/C18H22N2O3S2/c1-12(2)18(21)20-10-4-5-14-11-15(7-8-16(14)20)19-25(22,23)17-9-6-13(3)24-17/h6-9,11-12,19H,4-5,10H2,1-3H3
InChIKeyVODFODZHYMZWLF-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.79
Rot. Bonds4

About 5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide

5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide (PubChem CID 7498939) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide
PubChem CID7498939
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)s1
InChIInChI=1S/C18H22N2O3S2/c1-12(2)18(21)20-10-4-5-14-11-15(7-8-16(14)20)19-25(22,23)17-9-6-13(3)24-17/h6-9,11-12,19H,4-5,10H2,1-3H3
InChIKeyVODFODZHYMZWLF-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-methylthiophene-2-sulfonamide
CID 7498873
5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide
CID 110358472
3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide
CID 110358460
5-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
CID 110729387
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-2-sulfonamide
CID 7498928
1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
CID 7635663
2-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-5-nitrobenzenesulfonamide
CID 7498927
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-methylthiophene-2-sulfonamide
CID 40889525
5-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]thiophene-2-sulfonamide
CID 43990508
5-methyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636189
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110358483
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide (CID 7498939) is 5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)s1.
What is the InChIKey of 5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide?
The InChIKey is VODFODZHYMZWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-12(2)18(21)20-10-4-5-14-11-15(7-8-16(14)20)19-25(22,23)17-9-6-13(3)24-17/h6-9,11-12,19H,4-5,10H2,1-3H3.
What are the key properties of 5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide?
5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide has a molecular weight of 378.52 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 7498939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).