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

C25H28N2O2S — CID 123305709

IUPACN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2c(C)cc(N3CCc4sccc4C3)cc2C)cc1
InChIInChI=1S/C25H28N2O2S/c1-17-14-21(27-12-10-23-20(16-27)11-13-30-23)15-18(2)25(17)26-24(28)9-6-19-4-7-22(29-3)8-5-19/h4-5,7-8,11,13-15H,6,9-10,12,16H2,1-3H3,(H,26,28)
InChIKeyBONSNUALFKDVSJ-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.51
Rot. Bonds6

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

N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 123305709) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID123305709
Molecular FormulaC25H28N2O2S
Molecular Weight420.58 g/mol
Exact Mass420.19
IUPAC NameN-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2c(C)cc(N3CCc4sccc4C3)cc2C)cc1
InChIInChI=1S/C25H28N2O2S/c1-17-14-21(27-12-10-23-20(16-27)11-13-30-23)15-18(2)25(17)26-24(28)9-6-19-4-7-22(29-3)8-5-19/h4-5,7-8,11,13-15H,6,9-10,12,16H2,1-3H3,(H,26,28)
InChIKeyBONSNUALFKDVSJ-UHFFFAOYSA-N
XLogP5.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]acetamide
CID 123984754
N-[2,6-dimethyl-4-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)phenyl]-3,3-dimethylbutanamide
CID 147255048
ethyl N-[3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)anilino]-3-oxopropyl]carbamate
CID 51129942
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 55762563
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(3-methoxyphenyl)propan-1-one
CID 134051244
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
2-[2-(4-methoxyphenyl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109001188
3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
CID 16933458
3-(4-methoxyphenyl)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
CID 16929997
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 28604312
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxyphenoxy)ethanone
CID 42470135
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide (CID 123305709) is N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2c(C)cc(N3CCc4sccc4C3)cc2C)cc1.
What is the InChIKey of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is BONSNUALFKDVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-17-14-21(27-12-10-23-20(16-27)11-13-30-23)15-18(2)25(17)26-24(28)9-6-19-4-7-22(29-3)8-5-19/h4-5,7-8,11,13-15H,6,9-10,12,16H2,1-3H3,(H,26,28).
What are the key properties of N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide?
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 420.58 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 123305709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).