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

C26H34N2O2S — CID 67359425

IUPACN-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
SMILESCCN(C(=O)CCC(=O)N1CCc2sccc2C1c1cccc(C)c1)C1CCCCC1
InChIInChI=1S/C26H34N2O2S/c1-3-27(21-10-5-4-6-11-21)24(29)12-13-25(30)28-16-14-23-22(15-17-31-23)26(28)20-9-7-8-19(2)18-20/h7-9,15,17-18,21,26H,3-6,10-14,16H2,1-2H3
InChIKeyGIQMPSONEAFUTJ-UHFFFAOYSA-N
MW438.64 g/mol
LogP5.49
Rot. Bonds6

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

N-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide (PubChem CID 67359425) has the molecular formula C26H34N2O2S and a molecular weight of 438.64 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
PubChem CID67359425
Molecular FormulaC26H34N2O2S
Molecular Weight438.64 g/mol
Exact Mass438.23
IUPAC NameN-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
SMILESCCN(C(=O)CCC(=O)N1CCc2sccc2C1c1cccc(C)c1)C1CCCCC1
InChIInChI=1S/C26H34N2O2S/c1-3-27(21-10-5-4-6-11-21)24(29)12-13-25(30)28-16-14-23-22(15-17-31-23)26(28)20-9-7-8-19(2)18-20/h7-9,15,17-18,21,26H,3-6,10-14,16H2,1-2H3
InChIKeyGIQMPSONEAFUTJ-UHFFFAOYSA-N
XLogP5.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.64
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
CID 45377195
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
N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
CID 45377322
N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butanamide
CID 3918492
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
3-cyclopentyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 18093663
N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3981123
1-[2-[(4,6-dimethyl-2-pyridinyl)methyl]piperidin-1-yl]-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
CID 67358227
N-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide
CID 177183422
4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanal
CID 87516306
3-cyclopropyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 157330054

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide (CID 67359425) is N-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide is CCN(C(=O)CCC(=O)N1CCc2sccc2C1c1cccc(C)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide?
The InChIKey is GIQMPSONEAFUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2S/c1-3-27(21-10-5-4-6-11-21)24(29)12-13-25(30)28-16-14-23-22(15-17-31-23)26(28)20-9-7-8-19(2)18-20/h7-9,15,17-18,21,26H,3-6,10-14,16H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide?
N-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide has a molecular weight of 438.64 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide is sourced from PubChem (CID 67359425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).