4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide

C20H18N2O3S2 — CID 41265423

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCc2sccc2C1
InChIInChI=1S/C20H18N2O3S2/c23-20(22-12-10-19-16(14-22)11-13-26-19)15-6-8-18(9-7-15)27(24,25)21-17-4-2-1-3-5-17/h1-9,11,13,21H,10,12,14H2
InChIKeyHDKDWXHKIAJWFU-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.75
Rot. Bonds4

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide (PubChem CID 41265423) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide
PubChem CID41265423
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCc2sccc2C1
InChIInChI=1S/C20H18N2O3S2/c23-20(22-12-10-19-16(14-22)11-13-26-19)15-6-8-18(9-7-15)27(24,25)21-17-4-2-1-3-5-17/h1-9,11,13,21H,10,12,14H2
InChIKeyHDKDWXHKIAJWFU-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide
CID 42470440
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2975267
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzenesulfonamide
CID 31812524
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-carboxamide
CID 42470301
3,4-dichloro-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzenesulfonamide
CID 16573557
4-(4-methylpiperazin-4-ium-1-carbonyl)-N-phenylbenzenesulfonamide
CID 7040269
4-(5-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87487866
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929
N-phenyl-4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660136
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 56512192
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16944293

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide (CID 41265423) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCc2sccc2C1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide?
The InChIKey is HDKDWXHKIAJWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c23-20(22-12-10-19-16(14-22)11-13-26-19)15-6-8-18(9-7-15)27(24,25)21-17-4-2-1-3-5-17/h1-9,11,13,21H,10,12,14H2.
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide has a molecular weight of 398.51 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 41265423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).