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

C20H23N3OS2 — CID 4684725

IUPACN-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide
SMILESCC(C)N1CCc2c(sc(NC(=O)CCSc3ccccc3)c2C#N)C1
InChIInChI=1S/C20H23N3OS2/c1-14(2)23-10-8-16-17(12-21)20(26-18(16)13-23)22-19(24)9-11-25-15-6-4-3-5-7-15/h3-7,14H,8-11,13H2,1-2H3,(H,22,24)
InChIKeyFVASXBPLZNPYJA-UHFFFAOYSA-N
MW385.56 g/mol
LogP4.51
Rot. Bonds6

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

N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide (PubChem CID 4684725) has the molecular formula C20H23N3OS2 and a molecular weight of 385.56 g/mol. Its IUPAC name is N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide
PubChem CID4684725
Molecular FormulaC20H23N3OS2
Molecular Weight385.56 g/mol
Exact Mass385.13
IUPAC NameN-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide
SMILESCC(C)N1CCc2c(sc(NC(=O)CCSc3ccccc3)c2C#N)C1
InChIInChI=1S/C20H23N3OS2/c1-14(2)23-10-8-16-17(12-21)20(26-18(16)13-23)22-19(24)9-11-25-15-6-4-3-5-7-15/h3-7,14H,8-11,13H2,1-2H3,(H,22,24)
InChIKeyFVASXBPLZNPYJA-UHFFFAOYSA-N
XLogP4.51
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)propanamide
CID 4282187
2-[3-(4-methylphenyl)sulfanylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7545376
2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16833075
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenylsulfanylacetamide;hydrochloride
CID 16799567
N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide
CID 3714895
N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-phenylsulfanylacetamide
CID 730376
2,5-dichloro-N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)benzamide
CID 4183537
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-phenylsulfanylacetamide
CID 2970530
ethyl 2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 41086852
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-methylphenyl)sulfanylpropanamide
CID 52772459
N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide
CID 3486189
ethyl 3-cyano-2-(3,3-diphenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993633

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide (CID 4684725) is N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide is CC(C)N1CCc2c(sc(NC(=O)CCSc3ccccc3)c2C#N)C1.
What is the InChIKey of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide?
The InChIKey is FVASXBPLZNPYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS2/c1-14(2)23-10-8-16-17(12-21)20(26-18(16)13-23)22-19(24)9-11-25-15-6-4-3-5-7-15/h3-7,14H,8-11,13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide?
N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide has a molecular weight of 385.56 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 4684725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).