N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide

C18H19N3O2S — CID 155981904

IUPACN-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide
SMILESCn1cc(-c2ccc(CCNC(=O)COc3ccccc3)s2)cn1
InChIInChI=1S/C18H19N3O2S/c1-21-12-14(11-20-21)17-8-7-16(24-17)9-10-19-18(22)13-23-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,19,22)
InChIKeyRENBBOONCAHNRB-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.89
Rot. Bonds7

About N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide

N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide (PubChem CID 155981904) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide
PubChem CID155981904
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide
SMILESCn1cc(-c2ccc(CCNC(=O)COc3ccccc3)s2)cn1
InChIInChI=1S/C18H19N3O2S/c1-21-12-14(11-20-21)17-8-7-16(24-17)9-10-19-18(22)13-23-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,19,22)
InChIKeyRENBBOONCAHNRB-UHFFFAOYSA-N
XLogP2.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea
CID 155801272
1-(2-fluorophenyl)-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea
CID 155801213
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]thiophene-3-carboxamide
CID 155800975
(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide
CID 155801051
N'-(2-cyanophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]oxamide
CID 155801215
2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 47045575
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 155801253
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 47352395
2-phenoxy-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717509
N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 119055389
N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]ethanamine
CID 79778925
N-methyl-2-[3-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 91246967

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide (CID 155981904) is N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide is Cn1cc(-c2ccc(CCNC(=O)COc3ccccc3)s2)cn1.
What is the InChIKey of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is RENBBOONCAHNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-21-12-14(11-20-21)17-8-7-16(24-17)9-10-19-18(22)13-23-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,19,22).
What are the key properties of N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide?
N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 341.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 155981904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).