N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide

C15H17NOS2 — CID 107027298

IUPACN-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESCC(C)c1ccc(CNC(=O)c2cc(S)cs2)cc1
InChIInChI=1S/C15H17NOS2/c1-10(2)12-5-3-11(4-6-12)8-16-15(17)14-7-13(18)9-19-14/h3-7,9-10,18H,8H2,1-2H3,(H,16,17)
InChIKeyFCNLZEFPEXLHGK-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.09
Rot. Bonds4

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

N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107027298) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107027298
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
SMILESCC(C)c1ccc(CNC(=O)c2cc(S)cs2)cc1
InChIInChI=1S/C15H17NOS2/c1-10(2)12-5-3-11(4-6-12)8-16-15(17)14-7-13(18)9-19-14/h3-7,9-10,18H,8H2,1-2H3,(H,16,17)
InChIKeyFCNLZEFPEXLHGK-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.09
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-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 107028783
5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide
CID 79986981
N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484549
N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107029146
N-(1,3-benzodioxol-5-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107028822
N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027830
N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107020280
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030617
N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030604
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027924
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide (CID 107027298) is N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide is CC(C)c1ccc(CNC(=O)c2cc(S)cs2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is FCNLZEFPEXLHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c1-10(2)12-5-3-11(4-6-12)8-16-15(17)14-7-13(18)9-19-14/h3-7,9-10,18H,8H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide?
N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107027298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).