N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide

C19H27N3OS2 — CID 9342075

IUPACN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide
SMILESCC1(C)Cc2c(sc(NC(=O)CSC3CCCC3)c2C#N)C(C)(C)N1
InChIInChI=1S/C19H27N3OS2/c1-18(2)9-13-14(10-20)17(25-16(13)19(3,4)22-18)21-15(23)11-24-12-7-5-6-8-12/h12,22H,5-9,11H2,1-4H3,(H,21,23)
InChIKeyQLDOMBPDVWVGCT-UHFFFAOYSA-N
MW377.58 g/mol
LogP4.39
Rot. Bonds4

About N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide

N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide (PubChem CID 9342075) has the molecular formula C19H27N3OS2 and a molecular weight of 377.58 g/mol. Its IUPAC name is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide
PubChem CID9342075
Molecular FormulaC19H27N3OS2
Molecular Weight377.58 g/mol
Exact Mass377.16
IUPAC NameN-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide
SMILESCC1(C)Cc2c(sc(NC(=O)CSC3CCCC3)c2C#N)C(C)(C)N1
InChIInChI=1S/C19H27N3OS2/c1-18(2)9-13-14(10-20)17(25-16(13)19(3,4)22-18)21-15(23)11-24-12-7-5-6-8-12/h12,22H,5-9,11H2,1-4H3,(H,21,23)
InChIKeyQLDOMBPDVWVGCT-UHFFFAOYSA-N
XLogP4.39
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide with MolForge

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Related Compounds

N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 1340200
4-acetyl-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)benzamide
CID 4192818
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-(2-methylphenoxy)acetamide
CID 1420660
[2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] thiophene-3-carboxylate
CID 8645567
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132946
[2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016249
[2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 3-methylbenzoate
CID 9290540
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627273
[2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 9198498
4-butoxy-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)benzamide
CID 5100749
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8789004
[2-[(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 9010077

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide?
The IUPAC name of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide (CID 9342075) is N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide.
What is the SMILES notation for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide?
The canonical SMILES for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide is CC1(C)Cc2c(sc(NC(=O)CSC3CCCC3)c2C#N)C(C)(C)N1.
What is the InChIKey of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide?
The InChIKey is QLDOMBPDVWVGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS2/c1-18(2)9-13-14(10-20)17(25-16(13)19(3,4)22-18)21-15(23)11-24-12-7-5-6-8-12/h12,22H,5-9,11H2,1-4H3,(H,21,23).
What are the key properties of N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide?
N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide has a molecular weight of 377.58 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-2-cyclopentylsulfanylacetamide is sourced from PubChem (CID 9342075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).