3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide

C19H28N2O2S — CID 42707007

IUPAC3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C1NCCCCC1N(Cc1ccsc1)C(=O)CCC1CCCC1
InChIInChI=1S/C19H28N2O2S/c22-18(9-8-15-5-1-2-6-15)21(13-16-10-12-24-14-16)17-7-3-4-11-20-19(17)23/h10,12,14-15,17H,1-9,11,13H2,(H,20,23)
InChIKeyDENFHTBHHKRRLR-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.72
Rot. Bonds6

About 3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide

3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 42707007) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide
PubChem CID42707007
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C1NCCCCC1N(Cc1ccsc1)C(=O)CCC1CCCC1
InChIInChI=1S/C19H28N2O2S/c22-18(9-8-15-5-1-2-6-15)21(13-16-10-12-24-14-16)17-7-3-4-11-20-19(17)23/h10,12,14-15,17H,1-9,11,13H2,(H,20,23)
InChIKeyDENFHTBHHKRRLR-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide
CID 42707005
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
CID 42699394
N-cyclopropyl-3-piperidin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 62210423
4-cyclopentyl-1-thiophen-3-ylbutan-2-one
CID 61055455
N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide
CID 68774007
N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
CID 42699992
N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 71936534
N-[(3S)-2-oxoazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 42210590
N-[(4-ethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)dodecanamide
CID 42699388
2-[methyl(thiophen-3-ylmethyl)amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94083760
N-[(3S)-2-oxoazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 42439205
N-cyclopropyl-2-oxo-N-(thiophen-3-ylmethyl)imidazolidine-1-carboxamide
CID 72717905

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide (CID 42707007) is 3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide is O=C1NCCCCC1N(Cc1ccsc1)C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is DENFHTBHHKRRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-18(9-8-15-5-1-2-6-15)21(13-16-10-12-24-14-16)17-7-3-4-11-20-19(17)23/h10,12,14-15,17H,1-9,11,13H2,(H,20,23).
What are the key properties of 3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide?
3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 348.51 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 42707007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).