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

C23H24N2O3S2 — CID 46442126

IUPAC4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
SMILESCCC1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C23H24N2O3S2/c1-3-21-19-13-15-29-22(19)12-14-25(21)23(26)17-8-10-18(11-9-17)30(27,28)24-20-7-5-4-6-16(20)2/h4-11,13,15,21,24H,3,12,14H2,1-2H3
InChIKeyZLLGQLKXWVGHGZ-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.01
Rot. Bonds5

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

4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 46442126) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
PubChem CID46442126
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC Name4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
SMILESCCC1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C23H24N2O3S2/c1-3-21-19-13-15-29-22(19)12-14-25(21)23(26)17-8-10-18(11-9-17)30(27,28)24-20-7-5-4-6-16(20)2/h4-11,13,15,21,24H,3,12,14H2,1-2H3
InChIKeyZLLGQLKXWVGHGZ-UHFFFAOYSA-N
XLogP5.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 26002365
4-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 46442110
N-ethyl-4-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 33166182
N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide
CID 27332026
(3,5-diaminophenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61107490
(5-bromo-2-methylphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 65309737
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluorophenyl)methanone
CID 18093063
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 51239407
N-[[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]methyl]prop-2-enamide
CID 166403647
(6-chloro-3-pyridinyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47120174
4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 119376026
(4-bromo-3,5-dimethoxyphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 46442107

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide (CID 46442126) is 4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide is CCC1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is ZLLGQLKXWVGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-3-21-19-13-15-29-22(19)12-14-25(21)23(26)17-8-10-18(11-9-17)30(27,28)24-20-7-5-4-6-16(20)2/h4-11,13,15,21,24H,3,12,14H2,1-2H3.
What are the key properties of 4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide?
4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 440.59 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 46442126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).