(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide

C17H20N2OS — CID 41367120

IUPAC(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCc3sccc3C2)cc1
InChIInChI=1S/C17H20N2OS/c1-12-3-5-15(6-4-12)18-17(20)13(2)19-9-7-16-14(11-19)8-10-21-16/h3-6,8,10,13H,7,9,11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyJULPTXNCAXQAQR-CYBMUJFWSA-N
MW300.43 g/mol
LogP3.44
Rot. Bonds3

About (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide

(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide (PubChem CID 41367120) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide
PubChem CID41367120
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)N2CCc3sccc3C2)cc1
InChIInChI=1S/C17H20N2OS/c1-12-3-5-15(6-4-12)18-17(20)13(2)19-9-7-16-14(11-19)8-10-21-16/h3-6,8,10,13H,7,9,11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyJULPTXNCAXQAQR-CYBMUJFWSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 30172650
N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 51313786
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17453700
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide
CID 41361300
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 37057679
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
(2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 93235525
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 41367549
N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4818280
N-[4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 60563640
(2R)-N-(4-chlorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 8513842
2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55842799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide (CID 41367120) is (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)N2CCc3sccc3C2)cc1.
What is the InChIKey of (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is JULPTXNCAXQAQR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-3-5-15(6-4-12)18-17(20)13(2)19-9-7-16-14(11-19)8-10-21-16/h3-6,8,10,13H,7,9,11H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide?
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 300.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 41367120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).