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

C10H10F3NOS2 — CID 107026729

IUPACN-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(c1cc(S)cs1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H10F3NOS2/c11-10(12,13)5-14(6-1-2-6)9(15)8-3-7(16)4-17-8/h3-4,6,16H,1-2,5H2
InChIKeyAKFJWGSFEYQJIY-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.20
Rot. Bonds3

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

N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 107026729) has the molecular formula C10H10F3NOS2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID107026729
Molecular FormulaC10H10F3NOS2
Molecular Weight281.32 g/mol
Exact Mass281.02
IUPAC NameN-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESO=C(c1cc(S)cs1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H10F3NOS2/c11-10(12,13)5-14(6-1-2-6)9(15)8-3-7(16)4-17-8/h3-4,6,16H,1-2,5H2
InChIKeyAKFJWGSFEYQJIY-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.20
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-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 107023496
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948676
N-cyclopropyl-N-(furan-2-ylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107026650
N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107023704
N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107026594
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107023421
N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
CID 107022451
N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55010203
N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022608
5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 54984054
N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide
CID 114136943

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 107026729) is N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is O=C(c1cc(S)cs1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is AKFJWGSFEYQJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS2/c11-10(12,13)5-14(6-1-2-6)9(15)8-3-7(16)4-17-8/h3-4,6,16H,1-2,5H2.
What are the key properties of N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 107026729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).