N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide

C25H21N3O2S — CID 51687295

IUPACN-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H](c1cccs1)N(C(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C25H21N3O2S/c29-24(27-18-19-10-3-1-4-11-19)23(22-15-9-17-31-22)28(20-12-5-2-6-13-20)25(30)21-14-7-8-16-26-21/h1-17,23H,18H2,(H,27,29)/t23-/m1/s1
InChIKeyODZKYPXHINVKCM-HSZRJFAPSA-N
MW427.53 g/mol
LogP4.85
Rot. Bonds7

About N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide

N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide (PubChem CID 51687295) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
PubChem CID51687295
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC NameN-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H](c1cccs1)N(C(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C25H21N3O2S/c29-24(27-18-19-10-3-1-4-11-19)23(22-15-9-17-31-22)28(20-12-5-2-6-13-20)25(30)21-14-7-8-16-26-21/h1-17,23H,18H2,(H,27,29)/t23-/m1/s1
InChIKeyODZKYPXHINVKCM-HSZRJFAPSA-N
XLogP4.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 43813426
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570
N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 1466075
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3205928
N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 3210857
N-(3-acetylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 40782591
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 51552663
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 51552912
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 51552664
N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-phenyl-N-[3-(2,2,2-trifluoroethyl)phenyl]prop-2-ynamide
CID 45107396
N-[2-(benzylamino)-1-(3-methylthiophen-2-yl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792303
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3210889

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide?
The IUPAC name of N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide (CID 51687295) is N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide is O=C(NCc1ccccc1)[C@@H](c1cccs1)N(C(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide?
The InChIKey is ODZKYPXHINVKCM-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H21N3O2S/c29-24(27-18-19-10-3-1-4-11-19)23(22-15-9-17-31-22)28(20-12-5-2-6-13-20)25(30)21-14-7-8-16-26-21/h1-17,23H,18H2,(H,27,29)/t23-/m1/s1.
What are the key properties of N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide?
N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 51687295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).