2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide

C18H19N3OS2 — CID 71808134

IUPAC2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(CSCc1ccccc1)NCCn1ccc(-c2cccs2)n1
InChIInChI=1S/C18H19N3OS2/c22-18(14-23-13-15-5-2-1-3-6-15)19-9-11-21-10-8-16(20-21)17-7-4-12-24-17/h1-8,10,12H,9,11,13-14H2,(H,19,22)
InChIKeyOIKYIKPRGRCPEM-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.66
Rot. Bonds8

About 2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide

2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 71808134) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID71808134
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(CSCc1ccccc1)NCCn1ccc(-c2cccs2)n1
InChIInChI=1S/C18H19N3OS2/c22-18(14-23-13-15-5-2-1-3-6-15)19-9-11-21-10-8-16(20-21)17-7-4-12-24-17/h1-8,10,12H,9,11,13-14H2,(H,19,22)
InChIKeyOIKYIKPRGRCPEM-UHFFFAOYSA-N
XLogP3.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
Antiviral Agent
CID 5222231
(E)-N-Allyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-acrylamide
CID 1902746
2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 5308543
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 24981883
N-hydroxy-5-(1-(2-(phenethylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418137
[(1R)-2-(4-phenyltriazol-1-yl)-1-[(2-thiophen-2-ylacetyl)amino]ethyl]boronic acid
CID 71550247
[(1R)-2-[4-(3-aminophenyl)triazol-1-yl]-1-[(2-thiophen-2-ylacetyl)amino]ethyl]boronic acid
CID 71550249
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 1244268

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (CID 71808134) is 2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is O=C(CSCc1ccccc1)NCCn1ccc(-c2cccs2)n1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is OIKYIKPRGRCPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c22-18(14-23-13-15-5-2-1-3-6-15)19-9-11-21-10-8-16(20-21)17-7-4-12-24-17/h1-8,10,12H,9,11,13-14H2,(H,19,22).
What are the key properties of 2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 357.50 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 71808134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).