N-cyclopropyl-5-formylthiophene-2-carboxamide

C9H9NO2S — CID 118380717

IUPACN-cyclopropyl-5-formylthiophene-2-carboxamide
SMILESO=Cc1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C9H9NO2S/c11-5-7-3-4-8(13-7)9(12)10-6-1-2-6/h3-6H,1-2H2,(H,10,12)
InChIKeyXTKUERQJWSDTGX-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.45
Rot. Bonds3

About N-cyclopropyl-5-formylthiophene-2-carboxamide

N-cyclopropyl-5-formylthiophene-2-carboxamide (PubChem CID 118380717) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is N-cyclopropyl-5-formylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-formylthiophene-2-carboxamide
PubChem CID118380717
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC NameN-cyclopropyl-5-formylthiophene-2-carboxamide
SMILESO=Cc1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C9H9NO2S/c11-5-7-3-4-8(13-7)9(12)10-6-1-2-6/h3-6H,1-2H2,(H,10,12)
InChIKeyXTKUERQJWSDTGX-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-acetyl-N-cyclopropylthiophene-2-carboxamide
CID 9080124
(E)-3-[5-[(3-methylcyclopentyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 114539820
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
3-[5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79381490
N-cyclopropyl-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 39754078
N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide
CID 167786716
N-cyclopropyl-1,2-thiazole-5-carboxamide
CID 110692070
[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid
CID 87078760
N-(4-methylcyclohexyl)-5-nitrothiophene-2-carboxamide
CID 17403471
5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide
CID 63524780
5-formyl-N,N-dimethylthiophene-2-carboxamide
CID 15007350
N-(4,4-diethoxybutyl)-5-formylthiophene-2-carboxamide
CID 129186478

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-formylthiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-formylthiophene-2-carboxamide (CID 118380717) is N-cyclopropyl-5-formylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-formylthiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-formylthiophene-2-carboxamide is O=Cc1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-formylthiophene-2-carboxamide?
The InChIKey is XTKUERQJWSDTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c11-5-7-3-4-8(13-7)9(12)10-6-1-2-6/h3-6H,1-2H2,(H,10,12).
What are the key properties of N-cyclopropyl-5-formylthiophene-2-carboxamide?
N-cyclopropyl-5-formylthiophene-2-carboxamide has a molecular weight of 195.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-formylthiophene-2-carboxamide is sourced from PubChem (CID 118380717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).