N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide

About N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide

N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide (PubChem CID 93167486) has the molecular formula C26H32N2O3S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide.

Molecular Properties

Compound Name	N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide
PubChem CID	93167486
Molecular Formula	C26H32N2O3S
Molecular Weight	452.62 g/mol
Exact Mass	452.21
IUPAC Name	N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide
SMILES	C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)C1CC1
InChI	InChI=1S/C26H32N2O3S/c1-4-13-27(26(30)20-5-6-20)16-25(29)28-14-11-24-22(12-15-32-24)23(28)17-31-21-9-7-19(8-10-21)18(2)3/h4,7-10,12,15,18,20,23H,1,5-6,11,13-14,16-17H2,2-3H3/t23-/m0/s1
InChIKey	DHQRDPZCPSXFIZ-QHCPKHFHSA-N
XLogP	4.80
TPSA	49.85 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	9
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.62
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide?

The IUPAC name of N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide (CID 93167486) is N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide.

What is the SMILES notation for N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide?

The canonical SMILES for N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide is C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)C1CC1.

What is the InChIKey of N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide?

The InChIKey is DHQRDPZCPSXFIZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H32N2O3S/c1-4-13-27(26(30)20-5-6-20)16-25(29)28-14-11-24-22(12-15-32-24)23(28)17-31-21-9-7-19(8-10-21)18(2)3/h4,7-10,12,15,18,20,23H,1,5-6,11,13-14,16-17H2,2-3H3/t23-/m0/s1.

What are the key properties of N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide?

N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide has a molecular weight of 452.62 g/mol, XLogP of 4.80, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-prop-2-enylcyclopropanecarboxamide is sourced from PubChem (CID 93167486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).