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

C23H29N3O2S — CID 19490795

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(C)c(OCc2csc(C(=O)NC(C)Cn3nc(C)cc3C)c2)c1
InChIInChI=1S/C23H29N3O2S/c1-14-7-15(2)19(6)21(8-14)28-12-20-10-22(29-13-20)23(27)24-17(4)11-26-18(5)9-16(3)25-26/h7-10,13,17H,11-12H2,1-6H3,(H,24,27)
InChIKeyOEAQCDYNPMCYRZ-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.88
Rot. Bonds7

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

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19490795) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19490795
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(C)c(OCc2csc(C(=O)NC(C)Cn3nc(C)cc3C)c2)c1
InChIInChI=1S/C23H29N3O2S/c1-14-7-15(2)19(6)21(8-14)28-12-20-10-22(29-13-20)23(27)24-17(4)11-26-18(5)9-16(3)25-26/h7-10,13,17H,11-12H2,1-6H3,(H,24,27)
InChIKeyOEAQCDYNPMCYRZ-UHFFFAOYSA-N
XLogP4.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,6-dimethylphenoxy)methyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 19488742
4-[(2,5-dimethylphenoxy)methyl]-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 19471788
N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490760
N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489010
4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 19471659
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489124
N-[(2R)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158654
N-[(2S)-butan-2-yl]-2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 93158655
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490759
4-[(2,3-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 19495414
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490728
N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490729

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19490795) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide is Cc1cc(C)c(C)c(OCc2csc(C(=O)NC(C)Cn3nc(C)cc3C)c2)c1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is OEAQCDYNPMCYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-14-7-15(2)19(6)21(8-14)28-12-20-10-22(29-13-20)23(27)24-17(4)11-26-18(5)9-16(3)25-26/h7-10,13,17H,11-12H2,1-6H3,(H,24,27).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 411.57 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19490795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).