2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C14H14F3NOS2 — CID 71866467

IUPAC2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccs2)CC(F)(F)F)c(C)s1
InChIInChI=1S/C14H14F3NOS2/c1-9-6-12(10(2)21-9)13(19)18(8-14(15,16)17)7-11-4-3-5-20-11/h3-6H,7-8H2,1-2H3
InChIKeyWRCBYKLQKWTGRU-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.63
Rot. Bonds4

About 2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 71866467) has the molecular formula C14H14F3NOS2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID71866467
Molecular FormulaC14H14F3NOS2
Molecular Weight333.40 g/mol
Exact Mass333.05
IUPAC Name2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccs2)CC(F)(F)F)c(C)s1
InChIInChI=1S/C14H14F3NOS2/c1-9-6-12(10(2)21-9)13(19)18(8-14(15,16)17)7-11-4-3-5-20-11/h3-6H,7-8H2,1-2H3
InChIKeyWRCBYKLQKWTGRU-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990159
N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 134004531
2,2,2-trifluoro-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 62490776
N-ethyl-2-fluoro-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79770274
N-ethyl-2-hydroxy-5-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 60655389
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 55438026
N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 107358620
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62660536
2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024588
4-chloro-N-ethyl-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 60655635

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 71866467) is 2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is Cc1cc(C(=O)N(Cc2cccs2)CC(F)(F)F)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is WRCBYKLQKWTGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS2/c1-9-6-12(10(2)21-9)13(19)18(8-14(15,16)17)7-11-4-3-5-20-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(thiophen-2-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 71866467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).