2-(4-hydroxybutanoylamino)thiophene-3-carboxamide

C9H12N2O3S — CID 79193054

IUPAC2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCCO
InChIInChI=1S/C9H12N2O3S/c10-8(14)6-3-5-15-9(6)11-7(13)2-1-4-12/h3,5,12H,1-2,4H2,(H2,10,14)(H,11,13)
InChIKeyKRXWHPRSOSWRBK-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.56
Rot. Bonds5

About 2-(4-hydroxybutanoylamino)thiophene-3-carboxamide

2-(4-hydroxybutanoylamino)thiophene-3-carboxamide (PubChem CID 79193054) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(4-hydroxybutanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
PubChem CID79193054
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCCO
InChIInChI=1S/C9H12N2O3S/c10-8(14)6-3-5-15-9(6)11-7(13)2-1-4-12/h3,5,12H,1-2,4H2,(H2,10,14)(H,11,13)
InChIKeyKRXWHPRSOSWRBK-UHFFFAOYSA-N
XLogP0.56
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
2-(4-chlorobutanoylamino)thiophene-3-carboxamide
CID 63309353
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
CID 61253475
ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate
CID 60660981
2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide
CID 62022573
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63646484
2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 7254924
2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide
CID 47136233
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43467104
(E)-4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 6118974
2-(ethylamino)thiophene-3-carboxamide
CID 63089344

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutanoylamino)thiophene-3-carboxamide?
The IUPAC name of 2-(4-hydroxybutanoylamino)thiophene-3-carboxamide (CID 79193054) is 2-(4-hydroxybutanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 2-(4-hydroxybutanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 2-(4-hydroxybutanoylamino)thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CCCO.
What is the InChIKey of 2-(4-hydroxybutanoylamino)thiophene-3-carboxamide?
The InChIKey is KRXWHPRSOSWRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c10-8(14)6-3-5-15-9(6)11-7(13)2-1-4-12/h3,5,12H,1-2,4H2,(H2,10,14)(H,11,13).
What are the key properties of 2-(4-hydroxybutanoylamino)thiophene-3-carboxamide?
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide has a molecular weight of 228.27 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 79193054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).