5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C19H22N2O3S2 — CID 53156338

IUPAC5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)c1C
InChIInChI=1S/C19H22N2O3S2/c1-12-4-3-5-16(13(12)2)20-26(23,24)18-10-15-11-21(9-8-17(15)25-18)19(22)14-6-7-14/h3-5,10,14,20H,6-9,11H2,1-2H3
InChIKeyXBBNNWZTGDVECO-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.46
Rot. Bonds4

About 5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156338) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156338
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)c1C
InChIInChI=1S/C19H22N2O3S2/c1-12-4-3-5-16(13(12)2)20-26(23,24)18-10-15-11-21(9-8-17(15)25-18)19(22)14-6-7-14/h3-5,10,14,20H,6-9,11H2,1-2H3
InChIKeyXBBNNWZTGDVECO-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide with MolForge

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156399
N-(5-chloro-2-methoxyphenyl)-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156358
N-[(3-chlorophenyl)methyl]-5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156374
N-(2,4-dimethylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156292
5-acetyl-N-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156255
5-(cyclobutanecarbonyl)-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156406
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-methylthiophene-2-sulfonamide
CID 16944214
N-(4-fluoro-3-methylphenyl)-5-propanoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156309
5-acetyl-N-(4-acetylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156211
5-acetyl-N-(2,5-dimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156241
N-(2,3-dimethylphenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146000
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156338) is 5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is Cc1cccc(NS(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CC2)C3)c1C.
What is the InChIKey of 5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is XBBNNWZTGDVECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-12-4-3-5-16(13(12)2)20-26(23,24)18-10-15-11-21(9-8-17(15)25-18)19(22)14-6-7-14/h3-5,10,14,20H,6-9,11H2,1-2H3.
What are the key properties of 5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 390.53 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonyl)-N-(2,3-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).