N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

About N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide

N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (PubChem CID 9002665) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound Name	N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
PubChem CID	9002665
Molecular Formula	C21H29N3O2S
Molecular Weight	387.55 g/mol
Exact Mass	387.20
IUPAC Name	N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
SMILES	O=C(CN1CCc2sccc2[C@@H]1C1CC1)NC(=O)NCCC1=CCCCC1
InChI	InChI=1S/C21H29N3O2S/c25-19(23-21(26)22-11-8-15-4-2-1-3-5-15)14-24-12-9-18-17(10-13-27-18)20(24)16-6-7-16/h4,10,13,16,20H,1-3,5-9,11-12,14H2,(H2,22,23,25,26)/t20-/m0/s1
InChIKey	DYDIPLSBFVIEPS-FQEVSTJZSA-N
XLogP	3.77
TPSA	61.44 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.55
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
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-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

The IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide (CID 9002665) is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide.

What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

The canonical SMILES for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is O=C(CN1CCc2sccc2[C@@H]1C1CC1)NC(=O)NCCC1=CCCCC1.

What is the InChIKey of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

The InChIKey is DYDIPLSBFVIEPS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H29N3O2S/c25-19(23-21(26)22-11-8-15-4-2-1-3-5-15)14-24-12-9-18-17(10-13-27-18)20(24)16-6-7-16/h4,10,13,16,20H,1-3,5-9,11-12,14H2,(H2,22,23,25,26)/t20-/m0/s1.

What are the key properties of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide?

N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide has a molecular weight of 387.55 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 9002665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).