2-acetamido-5-propylthiophene-3-carboxamide

C10H14N2O2S — CID 1246587

IUPAC2-acetamido-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(N)=O)c(NC(C)=O)s1
InChIInChI=1S/C10H14N2O2S/c1-3-4-7-5-8(9(11)14)10(15-7)12-6(2)13/h5H,3-4H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyPBVVGHBRUOMYLW-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.76
Rot. Bonds4

About 2-acetamido-5-propylthiophene-3-carboxamide

2-acetamido-5-propylthiophene-3-carboxamide (PubChem CID 1246587) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-acetamido-5-propylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-5-propylthiophene-3-carboxamide
PubChem CID1246587
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-acetamido-5-propylthiophene-3-carboxamide
SMILESCCCc1cc(C(N)=O)c(NC(C)=O)s1
InChIInChI=1S/C10H14N2O2S/c1-3-4-7-5-8(9(11)14)10(15-7)12-6(2)13/h5H,3-4H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyPBVVGHBRUOMYLW-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-5-propylthiophene-3-carboxamide
CID 91098871
N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 1245035
(1R,6R)-6-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27519842
(1R,2S,3R,4S)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 51706141
(2S,3R)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27519826
(2S,3S)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27519828
(1S,2R,3S,4R)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 51706145
(1S,2R,3R,4S)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98299959
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095200
ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095194
2-(3,3-dimethylbutanoylamino)-5-ethylthiophene-3-carboxamide
CID 35523946

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-propylthiophene-3-carboxamide?
The IUPAC name of 2-acetamido-5-propylthiophene-3-carboxamide (CID 1246587) is 2-acetamido-5-propylthiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-5-propylthiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-5-propylthiophene-3-carboxamide is CCCc1cc(C(N)=O)c(NC(C)=O)s1.
What is the InChIKey of 2-acetamido-5-propylthiophene-3-carboxamide?
The InChIKey is PBVVGHBRUOMYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-4-7-5-8(9(11)14)10(15-7)12-6(2)13/h5H,3-4H2,1-2H3,(H2,11,14)(H,12,13).
What are the key properties of 2-acetamido-5-propylthiophene-3-carboxamide?
2-acetamido-5-propylthiophene-3-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-propylthiophene-3-carboxamide is sourced from PubChem (CID 1246587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).