N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

C22H21N3O2S — CID 19499079

IUPACN-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(COc3ccc4ccccc4c3)cs2)c1C
InChIInChI=1S/C22H21N3O2S/c1-3-25-15(2)20(12-23-25)24-22(26)21-10-16(14-28-21)13-27-19-9-8-17-6-4-5-7-18(17)11-19/h4-12,14H,3,13H2,1-2H3,(H,24,26)
InChIKeyKHUHRMIMHICSQY-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.26
Rot. Bonds6

About N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (PubChem CID 19499079) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
PubChem CID19499079
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(COc3ccc4ccccc4c3)cs2)c1C
InChIInChI=1S/C22H21N3O2S/c1-3-25-15(2)20(12-23-25)24-22(26)21-10-16(14-28-21)13-27-19-9-8-17-6-4-5-7-18(17)11-19/h4-12,14H,3,13H2,1-2H3,(H,24,26)
InChIKeyKHUHRMIMHICSQY-UHFFFAOYSA-N
XLogP5.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19497119
4-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19498923
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499092
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490881
N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499133
N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499069
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-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498978
4-[(3-chlorophenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394370
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499068

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (CID 19499079) is N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is CCn1ncc(NC(=O)c2cc(COc3ccc4ccccc4c3)cs2)c1C.
What is the InChIKey of N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The InChIKey is KHUHRMIMHICSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-3-25-15(2)20(12-23-25)24-22(26)21-10-16(14-28-21)13-27-19-9-8-17-6-4-5-7-18(17)11-19/h4-12,14H,3,13H2,1-2H3,(H,24,26).
What are the key properties of N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-methylpyrazol-4-yl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19499079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).