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

C25H32N2O2S — CID 4000694

IUPACN-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)C2CCCC2)C(C)C)cc1
InChIInChI=1S/C25H32N2O2S/c1-17(2)27(25(29)20-6-4-5-7-20)16-23(28)26-14-12-22-21(13-15-30-22)24(26)19-10-8-18(3)9-11-19/h8-11,13,15,17,20,24H,4-7,12,14,16H2,1-3H3
InChIKeyQNIACXYPVSUXRZ-UHFFFAOYSA-N
MW424.61 g/mol
LogP4.96
Rot. Bonds5

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

N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide (PubChem CID 4000694) has the molecular formula C25H32N2O2S and a molecular weight of 424.61 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
PubChem CID4000694
Molecular FormulaC25H32N2O2S
Molecular Weight424.61 g/mol
Exact Mass424.22
IUPAC NameN-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)C2CCCC2)C(C)C)cc1
InChIInChI=1S/C25H32N2O2S/c1-17(2)27(25(29)20-6-4-5-7-20)16-23(28)26-14-12-22-21(13-15-30-22)24(26)19-10-8-18(3)9-11-19/h8-11,13,15,17,20,24H,4-7,12,14,16H2,1-3H3
InChIKeyQNIACXYPVSUXRZ-UHFFFAOYSA-N
XLogP4.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 3561787
N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 7361188
N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 5157507
N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 7495638
N-[(2S)-butan-2-yl]-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 7482610
N-[(2R)-butan-2-yl]-2-methyl-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 7250090
1-[(2S)-butan-2-yl]-3,3-dimethyl-1-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]urea
CID 7360695
N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 5138361
1-[2-[(4S)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3,3-dimethyl-1-propan-2-ylurea
CID 7238383
N-(3-ethoxypropyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 4025284
N-butan-2-yl-4-fluoro-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 5115460
4-bromo-N-butan-2-yl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 3250213

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
The IUPAC name of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide (CID 4000694) is N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
The canonical SMILES for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide is Cc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)C2CCCC2)C(C)C)cc1.
What is the InChIKey of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
The InChIKey is QNIACXYPVSUXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2S/c1-17(2)27(25(29)20-6-4-5-7-20)16-23(28)26-14-12-22-21(13-15-30-22)24(26)19-10-8-18(3)9-11-19/h8-11,13,15,17,20,24H,4-7,12,14,16H2,1-3H3.
What are the key properties of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide?
N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide has a molecular weight of 424.61 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide is sourced from PubChem (CID 4000694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).