3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide

C18H19N3OS2 — CID 122265128

IUPAC3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCSc1ccccc1)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C18H19N3OS2/c22-18(9-13-23-15-6-2-1-3-7-15)19-14-16(17-8-4-12-24-17)21-11-5-10-20-21/h1-8,10-12,16H,9,13-14H2,(H,19,22)
InChIKeyWHGWTDROLJEFIQ-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.83
Rot. Bonds8

About 3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide

3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide (PubChem CID 122265128) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
PubChem CID122265128
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCSc1ccccc1)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C18H19N3OS2/c22-18(9-13-23-15-6-2-1-3-7-15)19-14-16(17-8-4-12-24-17)21-11-5-10-20-21/h1-8,10-12,16H,9,13-14H2,(H,19,22)
InChIKeyWHGWTDROLJEFIQ-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
CID 122265200
4-(1,3-dioxoisoindol-2-yl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265180
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 119102022
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265100
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
CID 122265353
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 122265113
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide
CID 119102036

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide (CID 122265128) is 3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide is O=C(CCSc1ccccc1)NCC(c1cccs1)n1cccn1.
What is the InChIKey of 3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide?
The InChIKey is WHGWTDROLJEFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c22-18(9-13-23-15-6-2-1-3-7-15)19-14-16(17-8-4-12-24-17)21-11-5-10-20-21/h1-8,10-12,16H,9,13-14H2,(H,19,22).
What are the key properties of 3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide?
3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide has a molecular weight of 357.50 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 122265128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).