N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide

C13H13NO2S2 — CID 91704675

IUPACN-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C(=O)c1cccs1
InChIInChI=1S/C13H13NO2S2/c1-2-7-14(12(15)10-5-3-8-17-10)13(16)11-6-4-9-18-11/h3-6,8-9H,2,7H2,1H3
InChIKeyIZMYLFLEHKALSX-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.50
Rot. Bonds4

About N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide

N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide (PubChem CID 91704675) has the molecular formula C13H13NO2S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
PubChem CID91704675
Molecular FormulaC13H13NO2S2
Molecular Weight279.39 g/mol
Exact Mass279.04
IUPAC NameN-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C(=O)c1cccs1
InChIInChI=1S/C13H13NO2S2/c1-2-7-14(12(15)10-5-3-8-17-10)13(16)11-6-4-9-18-11/h3-6,8-9H,2,7H2,1H3
InChIKeyIZMYLFLEHKALSX-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-octyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704679
N,N-diethylthiophene-2-carboxamide
CID 962897
N-butylthiophene-2-carbohydrazide
CID 54350563
N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
CID 69259223
CID 69259223
N-(4-aminophenyl)-N-propylthiophene-2-carboxamide
CID 63233977
N-ethyl-N-hexadecylthiophene-2-carboxamide
CID 91704886
N-(1-methylpiperidin-4-yl)-N-propylthiophene-2-carboxamide
CID 4231172
1-thiophen-2-ylpropan-1-one
CID 26179
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712
N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112697982
2-[2-carboxyethyl(thiophene-2-carbonyl)amino]pentanoic acid
CID 82324463

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide?
The IUPAC name of N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide (CID 91704675) is N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide.
What is the SMILES notation for N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide?
The canonical SMILES for N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide is CCCN(C(=O)c1cccs1)C(=O)c1cccs1.
What is the InChIKey of N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide?
The InChIKey is IZMYLFLEHKALSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S2/c1-2-7-14(12(15)10-5-3-8-17-10)13(16)11-6-4-9-18-11/h3-6,8-9H,2,7H2,1H3.
What are the key properties of N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide?
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide is sourced from PubChem (CID 91704675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).