N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide

C14H14N2OS2 — CID 833546

IUPACN-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=S)NC(=O)c1cccs1
InChIInChI=1S/C14H14N2OS2/c1-16(10-11-6-3-2-4-7-11)14(18)15-13(17)12-8-5-9-19-12/h2-9H,10H2,1H3,(H,15,17,18)
InChIKeyPOBCTGOSZCHTDV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.89
Rot. Bonds3

About N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide

N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 833546) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID833546
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC NameN-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=S)NC(=O)c1cccs1
InChIInChI=1S/C14H14N2OS2/c1-16(10-11-6-3-2-4-7-11)14(18)15-13(17)12-8-5-9-19-12/h2-9H,10H2,1H3,(H,15,17,18)
InChIKeyPOBCTGOSZCHTDV-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide (CID 833546) is N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide is CN(Cc1ccccc1)C(=S)NC(=O)c1cccs1.
What is the InChIKey of N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is POBCTGOSZCHTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-16(10-11-6-3-2-4-7-11)14(18)15-13(17)12-8-5-9-19-12/h2-9H,10H2,1H3,(H,15,17,18).
What are the key properties of N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide?
N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 833546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).