2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide

C19H23N3O2S2 — CID 38216091

IUPAC2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)N1CCc2sccc2C1
InChIInChI=1S/C19H23N3O2S2/c1-21(12-18(23)20-15-5-3-4-6-17(15)25-2)13-19(24)22-9-7-16-14(11-22)8-10-26-16/h3-6,8,10H,7,9,11-13H2,1-2H3,(H,20,23)
InChIKeyHBAFXEBXTQATEO-UHFFFAOYSA-N
MW389.55 g/mol
LogP2.93
Rot. Bonds6

About 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide

2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 38216091) has the molecular formula C19H23N3O2S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID38216091
Molecular FormulaC19H23N3O2S2
Molecular Weight389.55 g/mol
Exact Mass389.12
IUPAC Name2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)CC(=O)N1CCc2sccc2C1
InChIInChI=1S/C19H23N3O2S2/c1-21(12-18(23)20-15-5-3-4-6-17(15)25-2)13-19(24)22-9-7-16-14(11-22)8-10-26-16/h3-6,8,10H,7,9,11-13H2,1-2H3,(H,20,23)
InChIKeyHBAFXEBXTQATEO-UHFFFAOYSA-N
XLogP2.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide with MolForge

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Related Compounds

ethyl 4-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]piperazine-1-carboxylate
CID 9166348
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]acetic acid;hydrochloride
CID 56813164
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide
CID 41361300
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-[(3-amino-4-methylpentyl)-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 81496619
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-oxobutanamide
CID 55872768
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]ethanone
CID 62015561
2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 86906760
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]-N-methylbenzamide
CID 41395624
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 18142165
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-3-phenylpentan-1-one
CID 146123854

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide (CID 38216091) is 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)CC(=O)N1CCc2sccc2C1.
What is the InChIKey of 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is HBAFXEBXTQATEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2/c1-21(12-18(23)20-15-5-3-4-6-17(15)25-2)13-19(24)22-9-7-16-14(11-22)8-10-26-16/h3-6,8,10H,7,9,11-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 389.55 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 38216091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).