N-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide

C12H19NO2S — CID 43418134

IUPACN-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide
SMILESCCC(CO)NC(=O)CCCc1cccs1
InChIInChI=1S/C12H19NO2S/c1-2-10(9-14)13-12(15)7-3-5-11-6-4-8-16-11/h4,6,8,10,14H,2-3,5,7,9H2,1H3,(H,13,15)
InChIKeyRMAPTDROKLHKKH-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.96
Rot. Bonds7

About N-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide

N-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide (PubChem CID 43418134) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide
PubChem CID43418134
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide
SMILESCCC(CO)NC(=O)CCCc1cccs1
InChIInChI=1S/C12H19NO2S/c1-2-10(9-14)13-12(15)7-3-5-11-6-4-8-16-11/h4,6,8,10,14H,2-3,5,7,9H2,1H3,(H,13,15)
InChIKeyRMAPTDROKLHKKH-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide (CID 43418134) is N-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide is CCC(CO)NC(=O)CCCc1cccs1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is RMAPTDROKLHKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-2-10(9-14)13-12(15)7-3-5-11-6-4-8-16-11/h4,6,8,10,14H,2-3,5,7,9H2,1H3,(H,13,15).
What are the key properties of N-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide?
N-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 241.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 43418134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).