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

C9H13NO2S — CID 81041290

IUPACN-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
SMILESCC(CCO)NC(=O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-7(4-5-11)10-9(12)8-3-2-6-13-8/h2-3,6-7,11H,4-5H2,1H3,(H,10,12)
InChIKeyPSSZIGJHSUSQIJ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.25
Rot. Bonds4

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

N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide (PubChem CID 81041290) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
PubChem CID81041290
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
SMILESCC(CCO)NC(=O)c1cccs1
InChIInChI=1S/C9H13NO2S/c1-7(4-5-11)10-9(12)8-3-2-6-13-8/h2-3,6-7,11H,4-5H2,1H3,(H,10,12)
InChIKeyPSSZIGJHSUSQIJ-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

N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide
CID 82040114
2-methyl-6-(thiophene-2-carbonylamino)heptanoic acid
CID 65285828
N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 103759054
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83176272
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)thiophene-2-carboxamide
CID 103798681
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 61062526
(2S)-4-methyl-2-(thiophene-2-carbonylamino)pentanoic acid
CID 42150236
N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 66137028

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide (CID 81041290) is N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide is CC(CCO)NC(=O)c1cccs1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide?
The InChIKey is PSSZIGJHSUSQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7(4-5-11)10-9(12)8-3-2-6-13-8/h2-3,6-7,11H,4-5H2,1H3,(H,10,12).
What are the key properties of N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide?
N-(4-hydroxybutan-2-yl)thiophene-2-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-2-carboxamide is sourced from PubChem (CID 81041290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).