N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide

C20H23N3O3S — CID 122264672

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(c1cccs1)n1nc(C)cc1C
InChIInChI=1S/C20H23N3O3S/c1-14-11-15(2)23(22-14)16(19-9-6-10-27-19)12-21-20(24)13-26-18-8-5-4-7-17(18)25-3/h4-11,16H,12-13H2,1-3H3,(H,21,24)
InChIKeyNHLACBRJBSQIDW-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.35
Rot. Bonds8

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 122264672) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID122264672
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(c1cccs1)n1nc(C)cc1C
InChIInChI=1S/C20H23N3O3S/c1-14-11-15(2)23(22-14)16(19-9-6-10-27-19)12-21-20(24)13-26-18-8-5-4-7-17(18)25-3/h4-11,16H,12-13H2,1-3H3,(H,21,24)
InChIKeyNHLACBRJBSQIDW-UHFFFAOYSA-N
XLogP3.35
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3,4,5-trimethoxybenzamide
CID 122264715
2-(2-methoxyphenoxy)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17014094
1-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(2-ethoxyphenyl)urea
CID 122265012
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
CID 122264717
3-(2-bromophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]propanamide
CID 122264757
1-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-propan-2-ylurea
CID 122264987
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-N'-phenyloxamide
CID 122264911
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 112503957
1-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(2-methylphenyl)urea
CID 122244384
1-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(3-phenylpropyl)urea
CID 122265009
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(4-nitrophenyl)acetamide
CID 122264666
N'-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]oxamide
CID 122264910

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide (CID 122264672) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCC(c1cccs1)n1nc(C)cc1C.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is NHLACBRJBSQIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-14-11-15(2)23(22-14)16(19-9-6-10-27-19)12-21-20(24)13-26-18-8-5-4-7-17(18)25-3/h4-11,16H,12-13H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 122264672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).