4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide

C20H21F2N3O2S — CID 19469644

IUPAC4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cc(COc2ccc(F)cc2F)cs1
InChIInChI=1S/C20H21F2N3O2S/c1-12-16(13(2)25(4)23-12)9-24(3)20(26)19-7-14(11-28-19)10-27-18-6-5-15(21)8-17(18)22/h5-8,11H,9-10H2,1-4H3
InChIKeyLHJWNKKXAKUVJY-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.23
Rot. Bonds6

About 4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide

4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 19469644) has the molecular formula C20H21F2N3O2S and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID19469644
Molecular FormulaC20H21F2N3O2S
Molecular Weight405.47 g/mol
Exact Mass405.13
IUPAC Name4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cc(COc2ccc(F)cc2F)cs1
InChIInChI=1S/C20H21F2N3O2S/c1-12-16(13(2)25(4)23-12)9-24(3)20(26)19-7-14(11-28-19)10-27-18-6-5-15(21)8-17(18)22/h5-8,11H,9-10H2,1-4H3
InChIKeyLHJWNKKXAKUVJY-UHFFFAOYSA-N
XLogP4.23
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,4-difluorophenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19469683
4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19505625
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(2,4-difluorophenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19469801
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19494987
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501192
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498704
4-[(4-chloro-2-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19486645
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469648
4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19469810
4-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 19483667
1-[(2,4-difluorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19279011
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495027

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 19469644) is 4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(COc2ccc(F)cc2F)cs1.
What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is LHJWNKKXAKUVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2S/c1-12-16(13(2)25(4)23-12)9-24(3)20(26)19-7-14(11-28-19)10-27-18-6-5-15(21)8-17(18)22/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19469644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).