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

C19H24N2OS — CID 41361454

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN2CCc3sccc3C2)cc1C
InChIInChI=1S/C19H24N2OS/c1-13-4-5-16(10-14(13)2)15(3)20-19(22)12-21-8-6-18-17(11-21)7-9-23-18/h4-5,7,9-10,15H,6,8,11-12H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyAETUOIBSQJVFDJ-HNNXBMFYSA-N
MW328.48 g/mol
LogP3.60
Rot. Bonds4

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide (PubChem CID 41361454) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
PubChem CID41361454
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)CN2CCc3sccc3C2)cc1C
InChIInChI=1S/C19H24N2OS/c1-13-4-5-16(10-14(13)2)15(3)20-19(22)12-21-8-6-18-17(11-21)7-9-23-18/h4-5,7,9-10,15H,6,8,11-12H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyAETUOIBSQJVFDJ-HNNXBMFYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(azocan-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8583647
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 41367420
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 41367206
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688549
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30988567
2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8704387
ethyl 4-[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932049
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 43036008
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 62023323
N-[1-(3,4-dimethylphenyl)ethyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 46445351
N-[4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 60563640
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 55353735

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide (CID 41361454) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)CN2CCc3sccc3C2)cc1C.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is AETUOIBSQJVFDJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-13-4-5-16(10-14(13)2)15(3)20-19(22)12-21-8-6-18-17(11-21)7-9-23-18/h4-5,7,9-10,15H,6,8,11-12H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 328.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 41361454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).