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

C17H19BrN2OS — CID 51313786

IUPACN-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCc3sccc3C2)c(Br)c1
InChIInChI=1S/C17H19BrN2OS/c1-11-3-4-15(14(18)9-11)19-17(21)12(2)20-7-5-16-13(10-20)6-8-22-16/h3-4,6,8-9,12H,5,7,10H2,1-2H3,(H,19,21)
InChIKeyCRJUVCWDUBVTPO-UHFFFAOYSA-N
MW379.32 g/mol
LogP4.20
Rot. Bonds3

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

N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide (PubChem CID 51313786) has the molecular formula C17H19BrN2OS and a molecular weight of 379.32 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
PubChem CID51313786
Molecular FormulaC17H19BrN2OS
Molecular Weight379.32 g/mol
Exact Mass378.04
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCc3sccc3C2)c(Br)c1
InChIInChI=1S/C17H19BrN2OS/c1-11-3-4-15(14(18)9-11)19-17(21)12(2)20-7-5-16-13(10-20)6-8-22-16/h3-4,6,8-9,12H,5,7,10H2,1-2H3,(H,19,21)
InChIKeyCRJUVCWDUBVTPO-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 54.20
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)propanamide
CID 41367120
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 37057679
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide
CID 41361300
2-(2-bromo-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 37253834
(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-(4-methylpiperidin-1-yl)propanamide
CID 46631156
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17453700
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927390
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 18137919
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 24596402
(2S)-N-(2-bromo-4-methylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30739088

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide (CID 51313786) is N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide is Cc1ccc(NC(=O)C(C)N2CCc3sccc3C2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
The InChIKey is CRJUVCWDUBVTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2OS/c1-11-3-4-15(14(18)9-11)19-17(21)12(2)20-7-5-16-13(10-20)6-8-22-16/h3-4,6,8-9,12H,5,7,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide has a molecular weight of 379.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide is sourced from PubChem (CID 51313786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).