4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

C13H10F3NOS2 — CID 107028783

IUPAC4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cc(S)cs1
InChIInChI=1S/C13H10F3NOS2/c14-13(15,16)9-3-1-8(2-4-9)6-17-12(18)11-5-10(19)7-20-11/h1-5,7,19H,6H2,(H,17,18)
InChIKeyVAQAUICTQHEDQR-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.99
Rot. Bonds3

About 4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 107028783) has the molecular formula C13H10F3NOS2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID107028783
Molecular FormulaC13H10F3NOS2
Molecular Weight317.36 g/mol
Exact Mass317.02
IUPAC Name4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cc(S)cs1
InChIInChI=1S/C13H10F3NOS2/c14-13(15,16)9-3-1-8(2-4-9)6-17-12(18)11-5-10(19)7-20-11/h1-5,7,19H,6H2,(H,17,18)
InChIKeyVAQAUICTQHEDQR-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.99
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

N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027298
N-(1,3-benzodioxol-5-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107028822
2-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,3-thiazole-4-carboxamide
CID 71610520
N-[(4-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030617
N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107029146
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-(naphthalen-1-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107028283
2-(3-fluoro-4-sulfanylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 146211391
5-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 27052442
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
N-[2-(4-methoxyphenyl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107020280
3-amino-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62881492

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 107028783) is 4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(S)cs1.
What is the InChIKey of 4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is VAQAUICTQHEDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NOS2/c14-13(15,16)9-3-1-8(2-4-9)6-17-12(18)11-5-10(19)7-20-11/h1-5,7,19H,6H2,(H,17,18).
What are the key properties of 4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 107028783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).