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

C22H27N3O2S — CID 19505625

IUPAC4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(OCc2csc(C(=O)N(C)Cc3c(C)nn(C)c3C)c2)cc1
InChIInChI=1S/C22H27N3O2S/c1-6-17-7-9-19(10-8-17)27-13-18-11-21(28-14-18)22(26)24(4)12-20-15(2)23-25(5)16(20)3/h7-11,14H,6,12-13H2,1-5H3
InChIKeyLCYYGIWORHONNF-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.51
Rot. Bonds7

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

4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 19505625) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID19505625
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(OCc2csc(C(=O)N(C)Cc3c(C)nn(C)c3C)c2)cc1
InChIInChI=1S/C22H27N3O2S/c1-6-17-7-9-19(10-8-17)27-13-18-11-21(28-14-18)22(26)24(4)12-20-15(2)23-25(5)16(20)3/h7-11,14H,6,12-13H2,1-5H3
InChIKeyLCYYGIWORHONNF-UHFFFAOYSA-N
XLogP4.51
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19469644
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492909
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501192
N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471527
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19502981
4-[(2,4-difluorophenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19469683
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(3,4-dimethylphenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19481755
4-[(3,4-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19471966
4-[(4-chloro-2-methylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19486645
4-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 19483667
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498704
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide (CID 19505625) is 4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is CCc1ccc(OCc2csc(C(=O)N(C)Cc3c(C)nn(C)c3C)c2)cc1.
What is the InChIKey of 4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is LCYYGIWORHONNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-6-17-7-9-19(10-8-17)27-13-18-11-21(28-14-18)22(26)24(4)12-20-15(2)23-25(5)16(20)3/h7-11,14H,6,12-13H2,1-5H3.
What are the key properties of 4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide?
4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19505625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).