2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide

C19H21N3OS — CID 119102022

IUPAC2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
SMILESCCC(C(=O)NCC(c1cccs1)n1cccn1)c1ccccc1
InChIInChI=1S/C19H21N3OS/c1-2-16(15-8-4-3-5-9-15)19(23)20-14-17(18-10-6-13-24-18)22-12-7-11-21-22/h3-13,16-17H,2,14H2,1H3,(H,20,23)
InChIKeyCOADETHUDIDBHS-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.84
Rot. Bonds7

About 2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide

2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide (PubChem CID 119102022) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
PubChem CID119102022
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
SMILESCCC(C(=O)NCC(c1cccs1)n1cccn1)c1ccccc1
InChIInChI=1S/C19H21N3OS/c1-2-16(15-8-4-3-5-9-15)19(23)20-14-17(18-10-6-13-24-18)22-12-7-11-21-22/h3-13,16-17H,2,14H2,1H3,(H,20,23)
InChIKeyCOADETHUDIDBHS-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
CID 122265128
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265068
N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
CID 122265353
3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
CID 122265200
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265088
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
(2R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-pyrazol-1-ylpropanamide
CID 94036104
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 122265113

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide?
The IUPAC name of 2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide (CID 119102022) is 2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide is CCC(C(=O)NCC(c1cccs1)n1cccn1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide?
The InChIKey is COADETHUDIDBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-2-16(15-8-4-3-5-9-15)19(23)20-14-17(18-10-6-13-24-18)22-12-7-11-21-22/h3-13,16-17H,2,14H2,1H3,(H,20,23).
What are the key properties of 2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide?
2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide has a molecular weight of 339.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 119102022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).