N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide

C20H23N3O3S — CID 19497119

IUPACN-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(COc3ccc(C)cc3OC)cs2)c1C
InChIInChI=1S/C20H23N3O3S/c1-5-23-14(3)16(10-21-23)22-20(24)19-9-15(12-27-19)11-26-17-7-6-13(2)8-18(17)25-4/h6-10,12H,5,11H2,1-4H3,(H,22,24)
InChIKeyYSUBOFJATWGSQQ-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.42
Rot. Bonds7

About N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide

N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19497119) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19497119
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(COc3ccc(C)cc3OC)cs2)c1C
InChIInChI=1S/C20H23N3O3S/c1-5-23-14(3)16(10-21-23)22-20(24)19-9-15(12-27-19)11-26-17-7-6-13(2)8-18(17)25-4/h6-10,12H,5,11H2,1-4H3,(H,22,24)
InChIKeyYSUBOFJATWGSQQ-UHFFFAOYSA-N
XLogP4.42
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19483664
4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19471721
N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499079
N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495453
N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495432
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495460
4-[(2-methoxy-4-methylphenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19497104
4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethylpyrazol-4-yl)thiophene-2-carboxamide
CID 19471766
N-(3-chloro-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495467
N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484576
N-(2-methoxy-5-methylphenyl)-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484703
4-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19471628

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19497119) is N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide is CCn1ncc(NC(=O)c2cc(COc3ccc(C)cc3OC)cs2)c1C.
What is the InChIKey of N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is YSUBOFJATWGSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-5-23-14(3)16(10-21-23)22-20(24)19-9-15(12-27-19)11-26-17-7-6-13(2)8-18(17)25-4/h6-10,12H,5,11H2,1-4H3,(H,22,24).
What are the key properties of N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19497119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).