3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide

C19H24N2O3S2 — CID 7657771

IUPAC3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C19H24N2O3S2/c1-19(2,3)13-17(22)20-15-8-9-16-14(12-15)6-4-10-21(16)26(23,24)18-7-5-11-25-18/h5,7-9,11-12H,4,6,10,13H2,1-3H3,(H,20,22)
InChIKeyDSZJKHFJCWKSAK-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.26
Rot. Bonds4

About 3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide

3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide (PubChem CID 7657771) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
PubChem CID7657771
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
SMILESCC(C)(C)CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C19H24N2O3S2/c1-19(2,3)13-17(22)20-15-8-9-16-14(12-15)6-4-10-21(16)26(23,24)18-7-5-11-25-18/h5,7-9,11-12H,4,6,10,13H2,1-3H3,(H,20,22)
InChIKeyDSZJKHFJCWKSAK-UHFFFAOYSA-N
XLogP4.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide
CID 27443267
ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate
CID 30679153
3,5-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831226
3,3-dimethyl-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide
CID 16930643
3,4-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831231
4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834893
2-ethoxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 7586784
3-bromo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27545934
4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27532573
3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 18578077
2,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 43955914
2,5-difluoro-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 43955897

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide (CID 7657771) is 3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide is CC(C)(C)CC(=O)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1.
What is the InChIKey of 3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide?
The InChIKey is DSZJKHFJCWKSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-19(2,3)13-17(22)20-15-8-9-16-14(12-15)6-4-10-21(16)26(23,24)18-7-5-11-25-18/h5,7-9,11-12H,4,6,10,13H2,1-3H3,(H,20,22).
What are the key properties of 3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide?
3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide has a molecular weight of 392.55 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide is sourced from PubChem (CID 7657771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).