2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide

C21H26N2O2S2 — CID 46442127

IUPAC2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCC1c2ccsc2CCN1C(=O)C(C)SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H26N2O2S2/c1-4-18-17-10-12-26-19(17)9-11-23(18)21(25)15(3)27-13-20(24)22-16-7-5-14(2)6-8-16/h5-8,10,12,15,18H,4,9,11,13H2,1-3H3,(H,22,24)
InChIKeyKCPRHEMRNSIJSK-UHFFFAOYSA-N
MW402.59 g/mol
LogP4.65
Rot. Bonds6

About 2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide

2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 46442127) has the molecular formula C21H26N2O2S2 and a molecular weight of 402.59 g/mol. Its IUPAC name is 2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID46442127
Molecular FormulaC21H26N2O2S2
Molecular Weight402.59 g/mol
Exact Mass402.14
IUPAC Name2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCC1c2ccsc2CCN1C(=O)C(C)SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H26N2O2S2/c1-4-18-17-10-12-26-19(17)9-11-23(18)21(25)15(3)27-13-20(24)22-16-7-5-14(2)6-8-16/h5-8,10,12,15,18H,4,9,11,13H2,1-3H3,(H,22,24)
InChIKeyKCPRHEMRNSIJSK-UHFFFAOYSA-N
XLogP4.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.59
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methylbutan-1-one
CID 94822699
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294015
(2S)-2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 61146658
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-1-one
CID 55104231
2-(aminomethyl)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methylbutan-1-one
CID 65227786
4-ethyl-N-(4-propylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 112824907
6-methyl-1-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoyl]piperidine-3-carboxylic acid
CID 122114326
N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 24504496
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenoxypropan-1-one
CID 86909696
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-thiophen-2-ylethanone
CID 115286639
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1-oxopentan-2-yl]isoindole-1,3-dione
CID 55428281

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide (CID 46442127) is 2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide is CCC1c2ccsc2CCN1C(=O)C(C)SCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is KCPRHEMRNSIJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S2/c1-4-18-17-10-12-26-19(17)9-11-23(18)21(25)15(3)27-13-20(24)22-16-7-5-14(2)6-8-16/h5-8,10,12,15,18H,4,9,11,13H2,1-3H3,(H,22,24).
What are the key properties of 2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 402.59 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 46442127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).