N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide

C13H13NO2S2 — CID 107026650

IUPACN-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(c1cc(S)cs1)N(Cc1ccco1)C1CC1
InChIInChI=1S/C13H13NO2S2/c15-13(12-6-11(17)8-18-12)14(9-3-4-9)7-10-2-1-5-16-10/h1-2,5-6,8-9,17H,3-4,7H2
InChIKeyRYRQPMTWTLLSQT-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.43
Rot. Bonds4

About N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide

N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107026650) has the molecular formula C13H13NO2S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107026650
Molecular FormulaC13H13NO2S2
Molecular Weight279.39 g/mol
Exact Mass279.04
IUPAC NameN-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(c1cc(S)cs1)N(Cc1ccco1)C1CC1
InChIInChI=1S/C13H13NO2S2/c15-13(12-6-11(17)8-18-12)14(9-3-4-9)7-10-2-1-5-16-10/h1-2,5-6,8-9,17H,3-4,7H2
InChIKeyRYRQPMTWTLLSQT-UHFFFAOYSA-N
XLogP3.43
TPSA33.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 60738271
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 107026729
N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
CID 60731680
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369452
4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 82811231
4-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 107074444
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107074445
N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 115299012
2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 113255537

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide (CID 107026650) is N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide is O=C(c1cc(S)cs1)N(Cc1ccco1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is RYRQPMTWTLLSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S2/c15-13(12-6-11(17)8-18-12)14(9-3-4-9)7-10-2-1-5-16-10/h1-2,5-6,8-9,17H,3-4,7H2.
What are the key properties of N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide?
N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107026650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).