N-(4-hydroxybutan-2-yl)thiophene-3-carboxamide

C9H13NO2S — CID 81042634

IUPACN-(4-hydroxybutan-2-yl)thiophene-3-carboxamide
SMILESCC(CCO)NC(=O)c1ccsc1
InChIInChI=1S/C9H13NO2S/c1-7(2-4-11)10-9(12)8-3-5-13-6-8/h3,5-7,11H,2,4H2,1H3,(H,10,12)
InChIKeyZGCSNVUCMXNFOC-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.25
Rot. Bonds4

About N-(4-hydroxybutan-2-yl)thiophene-3-carboxamide

N-(4-hydroxybutan-2-yl)thiophene-3-carboxamide (PubChem CID 81042634) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)thiophene-3-carboxamide
PubChem CID81042634
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-(4-hydroxybutan-2-yl)thiophene-3-carboxamide
SMILESCC(CCO)NC(=O)c1ccsc1
InChIInChI=1S/C9H13NO2S/c1-7(2-4-11)10-9(12)8-3-5-13-6-8/h3,5-7,11H,2,4H2,1H3,(H,10,12)
InChIKeyZGCSNVUCMXNFOC-UHFFFAOYSA-N
XLogP1.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)thiophene-3-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)thiophene-3-carboxamide (CID 81042634) is N-(4-hydroxybutan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)thiophene-3-carboxamide is CC(CCO)NC(=O)c1ccsc1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)thiophene-3-carboxamide?
The InChIKey is ZGCSNVUCMXNFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7(2-4-11)10-9(12)8-3-5-13-6-8/h3,5-7,11H,2,4H2,1H3,(H,10,12).
What are the key properties of N-(4-hydroxybutan-2-yl)thiophene-3-carboxamide?
N-(4-hydroxybutan-2-yl)thiophene-3-carboxamide has a molecular weight of 199.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 81042634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).