N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide

C15H17NOS2 — CID 107020649

IUPACN-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cc(S)cs1
InChIInChI=1S/C15H17NOS2/c1-9(2)12-6-4-5-10(3)14(12)16-15(17)13-7-11(18)8-19-13/h4-9,18H,1-3H3,(H,16,17)
InChIKeyOVYRMQLVNSBZOI-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.72
Rot. Bonds3

About N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107020649) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107020649
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cc(S)cs1
InChIInChI=1S/C15H17NOS2/c1-9(2)12-6-4-5-10(3)14(12)16-15(17)13-7-11(18)8-19-13/h4-9,18H,1-3H3,(H,16,17)
InChIKeyOVYRMQLVNSBZOI-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-5-methyl-N-(2-methyl-6-propan-2-ylphenyl)thiophene-2-carboxamide
CID 26218789
N-(2,6-dibromophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107604210
N-(2,6-difluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107022105
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47240041
N-(2-methyl-6-propan-2-ylphenyl)-5-nitrothiophene-2-carboxamide
CID 26218909
N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600651
7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 38899371
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(2-methyl-6-propan-2-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261863
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 107073896

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide (CID 107020649) is N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cc(S)cs1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is OVYRMQLVNSBZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c1-9(2)12-6-4-5-10(3)14(12)16-15(17)13-7-11(18)8-19-13/h4-9,18H,1-3H3,(H,16,17).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107020649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).