N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide

C18H20N4OS — CID 95612062

IUPACN-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide
SMILESO=C(CNCCn1cccn1)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C18H20N4OS/c23-17(14-19-10-12-22-11-5-9-20-22)21-18(16-8-4-13-24-16)15-6-2-1-3-7-15/h1-9,11,13,18-19H,10,12,14H2,(H,21,23)/t18-/m0/s1
InChIKeyMRTVHCLKHFTWPM-SFHVURJKSA-N
MW340.45 g/mol
LogP2.44
Rot. Bonds8

About N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide

N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide (PubChem CID 95612062) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide.

Molecular Properties

Compound NameN-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide
PubChem CID95612062
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide
SMILESO=C(CNCCn1cccn1)N[C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C18H20N4OS/c23-17(14-19-10-12-22-11-5-9-20-22)21-18(16-8-4-13-24-16)15-6-2-1-3-7-15/h1-9,11,13,18-19H,10,12,14H2,(H,21,23)/t18-/m0/s1
InChIKeyMRTVHCLKHFTWPM-SFHVURJKSA-N
XLogP2.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 86895496
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9231124
2-(1-methyltetrazol-5-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9231123
5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid
CID 91953225
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41392516
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673833
2-[(2-pyrazol-1-ylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 115283765
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40673730
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676

Frequently Asked Questions

What is the IUPAC name of N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide?
The IUPAC name of N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide (CID 95612062) is N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide.
What is the SMILES notation for N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide?
The canonical SMILES for N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide is O=C(CNCCn1cccn1)N[C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide?
The InChIKey is MRTVHCLKHFTWPM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N4OS/c23-17(14-19-10-12-22-11-5-9-20-22)21-18(16-8-4-13-24-16)15-6-2-1-3-7-15/h1-9,11,13,18-19H,10,12,14H2,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide?
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide has a molecular weight of 340.45 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-phenyl(thiophen-2-yl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide is sourced from PubChem (CID 95612062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).