3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide

C14H22N2O2S — CID 91841240

IUPAC3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC1CN(CCC(=O)NCc2cccs2)CCCO1
InChIInChI=1S/C14H22N2O2S/c1-12-11-16(6-3-8-18-12)7-5-14(17)15-10-13-4-2-9-19-13/h2,4,9,12H,3,5-8,10-11H2,1H3,(H,15,17)
InChIKeyYOWSOAYSWPIOPV-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.87
Rot. Bonds5

About 3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide

3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 91841240) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID91841240
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC1CN(CCC(=O)NCc2cccs2)CCCO1
InChIInChI=1S/C14H22N2O2S/c1-12-11-16(6-3-8-18-12)7-5-14(17)15-10-13-4-2-9-19-13/h2,4,9,12H,3,5-8,10-11H2,1H3,(H,15,17)
InChIKeyYOWSOAYSWPIOPV-UHFFFAOYSA-N
XLogP1.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)phenyl]-3-(2-methyl-1,4-oxazepan-4-yl)propanamide
CID 62986882
3-[(2S)-2-methyl-1,4-oxazepan-4-yl]-N-pyridin-3-ylpropanamide
CID 124753837
3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 70731474
3-(2-methylmorpholin-4-yl)-N-naphthalen-1-ylpropanamide
CID 46683190
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
1-(4-bromophenyl)-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 55140173
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
4-(azepan-1-yl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 3981931
2-[(3R)-3-methylpiperidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9275407
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 62357149
3-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 91834194

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 91841240) is 3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide is CC1CN(CCC(=O)NCc2cccs2)CCCO1.
What is the InChIKey of 3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is YOWSOAYSWPIOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-11-16(6-3-8-18-12)7-5-14(17)15-10-13-4-2-9-19-13/h2,4,9,12H,3,5-8,10-11H2,1H3,(H,15,17).
What are the key properties of 3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide?
3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 282.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,4-oxazepan-4-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 91841240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).