2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C17H19N3O2S — CID 4136200

IUPAC2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)Nc1sc2c(c1C(N)=O)CCN(Cc1ccccc1)C2
InChIInChI=1S/C17H19N3O2S/c1-11(21)19-17-15(16(18)22)13-7-8-20(10-14(13)23-17)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,18,22)(H,19,21)
InChIKeyWDLXGLNHAYAIGX-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.36
Rot. Bonds4

About 2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4136200) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID4136200
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)Nc1sc2c(c1C(N)=O)CCN(Cc1ccccc1)C2
InChIInChI=1S/C17H19N3O2S/c1-11(21)19-17-15(16(18)22)13-7-8-20(10-14(13)23-17)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,18,22)(H,19,21)
InChIKeyWDLXGLNHAYAIGX-UHFFFAOYSA-N
XLogP2.36
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
CID 53313256
6-benzyl-2-(2,2-dimethylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5103350
2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798225
methyl 2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 5055195
6-benzyl-2-[(4-tert-butylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798239
6-benzyl-2-[(2,6-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
CID 53313288
6-benzyl-2-[(4-ethylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 18577064
2-acetamido-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4054678
6-benzyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 16798286
6-benzyl-2-(3-phenylprop-2-enoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 73326843
6-benzyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 178186510
6-benzyl-2-[(4-methylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16833107

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4136200) is 2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)Nc1sc2c(c1C(N)=O)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is WDLXGLNHAYAIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(21)19-17-15(16(18)22)13-7-8-20(10-14(13)23-17)9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H2,18,22)(H,19,21).
What are the key properties of 2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4136200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).