N-(oxan-4-yl)-4-thiophen-2-ylbutanamide

C13H19NO2S — CID 70313728

IUPACN-(oxan-4-yl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NC1CCOCC1
InChIInChI=1S/C13H19NO2S/c15-13(14-11-6-8-16-9-7-11)5-1-3-12-4-2-10-17-12/h2,4,10-11H,1,3,5-9H2,(H,14,15)
InChIKeyDMTLKPWFMXFZGZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.37
Rot. Bonds5

About N-(oxan-4-yl)-4-thiophen-2-ylbutanamide

N-(oxan-4-yl)-4-thiophen-2-ylbutanamide (PubChem CID 70313728) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-thiophen-2-ylbutanamide
PubChem CID70313728
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(oxan-4-yl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NC1CCOCC1
InChIInChI=1S/C13H19NO2S/c15-13(14-11-6-8-16-9-7-11)5-1-3-12-4-2-10-17-12/h2,4,10-11H,1,3,5-9H2,(H,14,15)
InChIKeyDMTLKPWFMXFZGZ-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide
CID 175644633
3-(4-thiophen-2-ylbutanoylamino)cyclohexane-1-carboxylic acid
CID 63042020
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 78791745
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312
2-[(3R,4S)-3-(4-thiophen-2-ylbutanoylamino)oxan-4-yl]oxyacetic acid
CID 91794268
4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid
CID 66221199
N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide
CID 103751345
N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291806
N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide
CID 106366998
N-cyclopropyl-4-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]butanamide
CID 111348850
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(oxan-4-yl)-4-thiophen-2-ylbutanamide (CID 70313728) is N-(oxan-4-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(oxan-4-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(oxan-4-yl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is DMTLKPWFMXFZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-13(14-11-6-8-16-9-7-11)5-1-3-12-4-2-10-17-12/h2,4,10-11H,1,3,5-9H2,(H,14,15).
What are the key properties of N-(oxan-4-yl)-4-thiophen-2-ylbutanamide?
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 253.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 70313728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).