N-(pentylcarbamothioyl)thiophene-2-carboxamide

C11H16N2OS2 — CID 19187814

IUPACN-(pentylcarbamothioyl)thiophene-2-carboxamide
SMILESCCCCCNC(=S)NC(=O)c1cccs1
InChIInChI=1S/C11H16N2OS2/c1-2-3-4-7-12-11(15)13-10(14)9-6-5-8-16-9/h5-6,8H,2-4,7H2,1H3,(H2,12,13,14,15)
InChIKeyZVEPGNXSIJDXKL-UHFFFAOYSA-N
MW256.40 g/mol
LogP2.54
Rot. Bonds5

About N-(pentylcarbamothioyl)thiophene-2-carboxamide

N-(pentylcarbamothioyl)thiophene-2-carboxamide (PubChem CID 19187814) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is N-(pentylcarbamothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(pentylcarbamothioyl)thiophene-2-carboxamide
PubChem CID19187814
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC NameN-(pentylcarbamothioyl)thiophene-2-carboxamide
SMILESCCCCCNC(=S)NC(=O)c1cccs1
InChIInChI=1S/C11H16N2OS2/c1-2-3-4-7-12-11(15)13-10(14)9-6-5-8-16-9/h5-6,8H,2-4,7H2,1H3,(H2,12,13,14,15)
InChIKeyZVEPGNXSIJDXKL-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(hexylcarbamothioyl)thiophene-2-carboxamide
CID 19187816
N-[3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propyl]thiophene-2-carboxamide
CID 111161643
N-[3-hydroxy-1-(octylamino)-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 123551290
N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 4951604
N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111130027
N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187822
N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]thiophene-2-carboxamide
CID 2234389
N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]thiophene-2-carboxamide
CID 2271589
1-[(2S)-2-ethylhexyl]-3-(thiophene-2-carbonylamino)thiourea
CID 135779686
4-ethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822939
3-methoxy-N-(pentylcarbamothioyl)benzamide
CID 18822983

Frequently Asked Questions

What is the IUPAC name of N-(pentylcarbamothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(pentylcarbamothioyl)thiophene-2-carboxamide (CID 19187814) is N-(pentylcarbamothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(pentylcarbamothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(pentylcarbamothioyl)thiophene-2-carboxamide is CCCCCNC(=S)NC(=O)c1cccs1.
What is the InChIKey of N-(pentylcarbamothioyl)thiophene-2-carboxamide?
The InChIKey is ZVEPGNXSIJDXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-2-3-4-7-12-11(15)13-10(14)9-6-5-8-16-9/h5-6,8H,2-4,7H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(pentylcarbamothioyl)thiophene-2-carboxamide?
N-(pentylcarbamothioyl)thiophene-2-carboxamide has a molecular weight of 256.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pentylcarbamothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 19187814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).