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

C23H28N2O3S — CID 177183422

IUPACN-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide
SMILESCOc1cccc(C2c3ccsc3CCN2C(=O)CCNC(=O)C2CCCC2)c1
InChIInChI=1S/C23H28N2O3S/c1-28-18-8-4-7-17(15-18)22-19-11-14-29-20(19)10-13-25(22)21(26)9-12-24-23(27)16-5-2-3-6-16/h4,7-8,11,14-16,22H,2-3,5-6,9-10,12-13H2,1H3,(H,24,27)
InChIKeyIUFXOGPBCLWHKF-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.93
Rot. Bonds6

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

N-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 177183422) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide
PubChem CID177183422
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide
SMILESCOc1cccc(C2c3ccsc3CCN2C(=O)CCNC(=O)C2CCCC2)c1
InChIInChI=1S/C23H28N2O3S/c1-28-18-8-4-7-17(15-18)22-19-11-14-29-20(19)10-13-25(22)21(26)9-12-24-23(27)16-5-2-3-6-16/h4,7-8,11,14-16,22H,2-3,5-6,9-10,12-13H2,1H3,(H,24,27)
InChIKeyIUFXOGPBCLWHKF-UHFFFAOYSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
3-cyclopentyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 18093663
2-(4-methoxyphenoxy)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451540
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 3889285
2-(4-methoxyphenoxy)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451539
N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
CID 45377322
N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
CID 3420426
N-cyclohexyl-N-ethyl-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
CID 67359425
1-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]hexan-1-one
CID 7265535
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-phenylethanone
CID 3498352
N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 42932762
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide (CID 177183422) is N-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide is COc1cccc(C2c3ccsc3CCN2C(=O)CCNC(=O)C2CCCC2)c1.
What is the InChIKey of N-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is IUFXOGPBCLWHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-28-18-8-4-7-17(15-18)22-19-11-14-29-20(19)10-13-25(22)21(26)9-12-24-23(27)16-5-2-3-6-16/h4,7-8,11,14-16,22H,2-3,5-6,9-10,12-13H2,1H3,(H,24,27).
What are the key properties of N-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide?
N-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 412.56 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 177183422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).