N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide

C24H31N3O2S — CID 19501192

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2cc(COc3c(C)cc(C)cc3C)cs2)c1C
InChIInChI=1S/C24H31N3O2S/c1-8-27-19(6)21(18(5)25-27)12-26(7)24(28)22-11-20(14-30-22)13-29-23-16(3)9-15(2)10-17(23)4/h9-11,14H,8,12-13H2,1-7H3
InChIKeyRSZDPAMXNRSZTC-UHFFFAOYSA-N
MW425.60 g/mol
LogP5.36
Rot. Bonds7

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19501192) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19501192
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2cc(COc3c(C)cc(C)cc3C)cs2)c1C
InChIInChI=1S/C24H31N3O2S/c1-8-27-19(6)21(18(5)25-27)12-26(7)24(28)22-11-20(14-30-22)13-29-23-16(3)9-15(2)10-17(23)4/h9-11,14H,8,12-13H2,1-7H3
InChIKeyRSZDPAMXNRSZTC-UHFFFAOYSA-N
XLogP5.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.60
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19505625
3-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 19454029
4-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19471628
4-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19469644
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
CID 19454034
5-[(3,5-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 19453938
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501251
4-[(3,4-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19471966
4-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 19454035
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491225
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(2-methoxyphenoxy)methyl]-N-methylbenzamide
CID 19453949
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491233

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19501192) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide is CCn1nc(C)c(CN(C)C(=O)c2cc(COc3c(C)cc(C)cc3C)cs2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is RSZDPAMXNRSZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-8-27-19(6)21(18(5)25-27)12-26(7)24(28)22-11-20(14-30-22)13-29-23-16(3)9-15(2)10-17(23)4/h9-11,14H,8,12-13H2,1-7H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 425.60 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19501192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).