N-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide

C26H29N3O2S — CID 67357833

IUPACN-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide
SMILESCc1cccc(C2c3ccsc3CCN2C(=O)CCC(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C26H29N3O2S/c1-19-4-3-5-21(18-19)26-22-12-17-32-23(22)11-16-29(26)25(31)7-6-24(30)28(2)15-10-20-8-13-27-14-9-20/h3-5,8-9,12-14,17-18,26H,6-7,10-11,15-16H2,1-2H3
InChIKeyUEJXRUJSPCHRGZ-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.41
Rot. Bonds7

About N-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide

N-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide (PubChem CID 67357833) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide
PubChem CID67357833
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC NameN-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide
SMILESCc1cccc(C2c3ccsc3CCN2C(=O)CCC(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C26H29N3O2S/c1-19-4-3-5-21(18-19)26-22-12-17-32-23(22)11-16-29(26)25(31)7-6-24(30)28(2)15-10-20-8-13-27-14-9-20/h3-5,8-9,12-14,17-18,26H,6-7,10-11,15-16H2,1-2H3
InChIKeyUEJXRUJSPCHRGZ-UHFFFAOYSA-N
XLogP4.41
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
CID 67359425
N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
CID 45377195
N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
CID 45377322
N-(2,1,3-benzothiadiazol-4-yl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
CID 67357324
N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
CID 67357373
N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide
CID 4599489
1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 7237818
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 3889285
2-[benzyl(methyl)amino]-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 47052994
[4-(dimethylamino)phenyl]-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 21264471
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 33166466
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 113004823

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide?
The IUPAC name of N-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide (CID 67357833) is N-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide.
What is the SMILES notation for N-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide?
The canonical SMILES for N-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide is Cc1cccc(C2c3ccsc3CCN2C(=O)CCC(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of N-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide?
The InChIKey is UEJXRUJSPCHRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-19-4-3-5-21(18-19)26-22-12-17-32-23(22)11-16-29(26)25(31)7-6-24(30)28(2)15-10-20-8-13-27-14-9-20/h3-5,8-9,12-14,17-18,26H,6-7,10-11,15-16H2,1-2H3.
What are the key properties of N-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide?
N-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide has a molecular weight of 447.60 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxo-N-(2-pyridin-4-ylethyl)butanamide is sourced from PubChem (CID 67357833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).