N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide

C20H21N3O4S2 — CID 16799519

IUPACN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)c2C#N)C1
InChIInChI=1S/C20H21N3O4S2/c1-13-3-5-15(6-4-13)29(26,27)10-8-19(25)22-20-17(11-21)16-7-9-23(14(2)24)12-18(16)28-20/h3-6H,7-10,12H2,1-2H3,(H,22,25)
InChIKeyYPTWLFAIUKWPDU-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.64
Rot. Bonds5

About N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide

N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 16799519) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID16799519
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)c2C#N)C1
InChIInChI=1S/C20H21N3O4S2/c1-13-3-5-15(6-4-13)29(26,27)10-8-19(25)22-20-17(11-21)16-7-9-23(14(2)24)12-18(16)28-20/h3-6H,7-10,12H2,1-2H3,(H,22,25)
InChIKeyYPTWLFAIUKWPDU-UHFFFAOYSA-N
XLogP2.64
TPSA107.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide 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

N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597271
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(benzenesulfonyl)propanamide
CID 7189699
3-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
CID 7287147
N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)pivalamide hydrochloride
CID 16798210
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-((4-fluorophenyl)sulfonyl)acetamide
CID 16799559
6-Methyl-2-(2-(phenylsulfonyl)acetamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
CID 16822081
6-ethanoyl-2-[2-(4-fluorophenyl)sulfonylethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 16833026
methyl 3-(methylcarbamoyl)-2-(3-tosylpropanamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
CID 18580103
N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)acetamide hydrochloride
CID 24762097
N-(3-cyanothiophen-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 24979929
N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-tosylacetamide
CID 7543767
N-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4,5-dimethylthiophen-2-yl]acetamide
CID 2104291

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide (CID 16799519) is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide is CC(=O)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)c2C#N)C1.
What is the InChIKey of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is YPTWLFAIUKWPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-13-3-5-15(6-4-13)29(26,27)10-8-19(25)22-20-17(11-21)16-7-9-23(14(2)24)12-18(16)28-20/h3-6H,7-10,12H2,1-2H3,(H,22,25).
What are the key properties of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 431.54 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 16799519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).