N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide

C16H14N4O2S — CID 95331365

IUPACN-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](C(=O)Nc1ccn[nH]1)c1ccccc1)c1cccs1
InChIInChI=1S/C16H14N4O2S/c21-15(12-7-4-10-23-12)19-14(11-5-2-1-3-6-11)16(22)18-13-8-9-17-20-13/h1-10,14H,(H,19,21)(H2,17,18,20,22)/t14-/m0/s1
InChIKeyQLWXYLAGLHCCBP-AWEZNQCLSA-N
MW326.38 g/mol
LogP2.58
Rot. Bonds5

About N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide

N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide (PubChem CID 95331365) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide
PubChem CID95331365
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(N[C@H](C(=O)Nc1ccn[nH]1)c1ccccc1)c1cccs1
InChIInChI=1S/C16H14N4O2S/c21-15(12-7-4-10-23-12)19-14(11-5-2-1-3-6-11)16(22)18-13-8-9-17-20-13/h1-10,14H,(H,19,21)(H2,17,18,20,22)/t14-/m0/s1
InChIKeyQLWXYLAGLHCCBP-AWEZNQCLSA-N
XLogP2.58
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
CID 95282131
N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide
CID 122144672
2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide
CID 119878696
2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide
CID 124609043
(2R)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151754
(2S)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151753
N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653858
4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
CID 154851498
methyl 2-[[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]amino]benzoate
CID 2237012
(E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide
CID 75364810
N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
CID 42944393
N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653835

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide (CID 95331365) is N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide is O=C(N[C@H](C(=O)Nc1ccn[nH]1)c1ccccc1)c1cccs1.
What is the InChIKey of N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is QLWXYLAGLHCCBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-15(12-7-4-10-23-12)19-14(11-5-2-1-3-6-11)16(22)18-13-8-9-17-20-13/h1-10,14H,(H,19,21)(H2,17,18,20,22)/t14-/m0/s1.
What are the key properties of N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide?
N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 95331365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).