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

C23H29N3O2S — CID 19501251

IUPACN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCn1ncc(C(C)NC(=O)c2cc(COc3c(C)cc(C)cc3C)cs2)c1C
InChIInChI=1S/C23H29N3O2S/c1-7-26-18(6)20(11-24-26)17(5)25-23(27)21-10-19(13-29-21)12-28-22-15(3)8-14(2)9-16(22)4/h8-11,13,17H,7,12H2,1-6H3,(H,25,27)
InChIKeyZRIJINFAPUBYHR-UHFFFAOYSA-N
MW411.57 g/mol
LogP5.27
Rot. Bonds7

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

N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19501251) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19501251
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCn1ncc(C(C)NC(=O)c2cc(COc3c(C)cc(C)cc3C)cs2)c1C
InChIInChI=1S/C23H29N3O2S/c1-7-26-18(6)20(11-24-26)17(5)25-23(27)21-10-19(13-29-21)12-28-22-15(3)8-14(2)9-16(22)4/h8-11,13,17H,7,12H2,1-6H3,(H,25,27)
InChIKeyZRIJINFAPUBYHR-UHFFFAOYSA-N
XLogP5.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.57
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

4-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 19469767
N-[1-(4-methoxyphenyl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501186
4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 19483446
4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19483664
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471501
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484764
4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19471721
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501192
4-[(3,5-dimethylphenoxy)methyl]-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19505564
N-(2,5-dimethylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501205
4-[(4-chloro-2-methylphenoxy)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 19486728
4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 19503185

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19501251) is N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide is CCn1ncc(C(C)NC(=O)c2cc(COc3c(C)cc(C)cc3C)cs2)c1C.
What is the InChIKey of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is ZRIJINFAPUBYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-7-26-18(6)20(11-24-26)17(5)25-23(27)21-10-19(13-29-21)12-28-22-15(3)8-14(2)9-16(22)4/h8-11,13,17H,7,12H2,1-6H3,(H,25,27).
What are the key properties of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide?
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 411.57 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19501251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).