(2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide

C24H21N3OS — CID 26213367

IUPAC(2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3OS/c28-24(25-16-19-17-26-27(18-19)21-12-6-2-7-13-21)23(20-10-4-1-5-11-20)29-22-14-8-3-9-15-22/h1-15,17-18,23H,16H2,(H,25,28)/t23-/m0/s1
InChIKeyUWIDYHBYOXRDEO-QHCPKHFHSA-N
MW399.52 g/mol
LogP5.02
Rot. Bonds7

About (2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide

(2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide (PubChem CID 26213367) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is (2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide
PubChem CID26213367
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name(2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3OS/c28-24(25-16-19-17-26-27(18-19)21-12-6-2-7-13-21)23(20-10-4-1-5-11-20)29-22-14-8-3-9-15-22/h1-15,17-18,23H,16H2,(H,25,28)/t23-/m0/s1
InChIKeyUWIDYHBYOXRDEO-QHCPKHFHSA-N
XLogP5.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
(2R)-2-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 94024990
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084104
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94029140
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide?
The IUPAC name of (2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide (CID 26213367) is (2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for (2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for (2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide is O=C(NCc1cnn(-c2ccccc2)c1)[C@@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide?
The InChIKey is UWIDYHBYOXRDEO-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H21N3OS/c28-24(25-16-19-17-26-27(18-19)21-12-6-2-7-13-21)23(20-10-4-1-5-11-20)29-22-14-8-3-9-15-22/h1-15,17-18,23H,16H2,(H,25,28)/t23-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide?
(2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide has a molecular weight of 399.52 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 26213367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).