N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C8H8F3NOS2 — CID 107023496

IUPACN-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cc(S)cs1
InChIInChI=1S/C8H8F3NOS2/c1-12(4-8(9,10)11)7(13)6-2-5(14)3-15-6/h2-3,14H,4H2,1H3
InChIKeyZOTBAMUDNPQKSB-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.67
Rot. Bonds2

About N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 107023496) has the molecular formula C8H8F3NOS2 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID107023496
Molecular FormulaC8H8F3NOS2
Molecular Weight255.29 g/mol
Exact Mass255.00
IUPAC NameN-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cc(S)cs1
InChIInChI=1S/C8H8F3NOS2/c1-12(4-8(9,10)11)7(13)6-2-5(14)3-15-6/h2-3,14H,4H2,1H3
InChIKeyZOTBAMUDNPQKSB-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 107026729
N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
CID 107022451
N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107023704
N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107020696
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide
CID 107037295
N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021894
N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024271
3,5-dibromo-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103908249
N-[(2-bromophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024313
N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide
CID 107022373
4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61101958
N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107027791

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 107023496) is N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CN(CC(F)(F)F)C(=O)c1cc(S)cs1.
What is the InChIKey of N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is ZOTBAMUDNPQKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS2/c1-12(4-8(9,10)11)7(13)6-2-5(14)3-15-6/h2-3,14H,4H2,1H3.
What are the key properties of N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 255.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 107023496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).