2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

C20H21N3OS — CID 46684646

IUPAC2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESCC(Sc1ccccc1)C(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C20H21N3OS/c1-16(25-19-10-3-2-4-11-19)20(24)21-14-17-8-5-6-9-18(17)15-23-13-7-12-22-23/h2-13,16H,14-15H2,1H3,(H,21,24)
InChIKeyATBZYQXYIMJOEJ-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.73
Rot. Bonds7

About 2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 46684646) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID46684646
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESCC(Sc1ccccc1)C(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C20H21N3OS/c1-16(25-19-10-3-2-4-11-19)20(24)21-14-17-8-5-6-9-18(17)15-23-13-7-12-22-23/h2-13,16H,14-15H2,1H3,(H,21,24)
InChIKeyATBZYQXYIMJOEJ-UHFFFAOYSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
CID 133218931
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
2-methyl-1-propan-2-yl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111126243
cis-(1S,2R)-2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31953910
(2S)-2-(4-methylphenyl)sulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 92804145
cis-(1R,3S)-2,2-dimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065237
1-(2-hydroxy-2,3-dimethylpentyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 111120887
2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid
CID 119358577

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (CID 46684646) is 2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is CC(Sc1ccccc1)C(=O)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is ATBZYQXYIMJOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-16(25-19-10-3-2-4-11-19)20(24)21-14-17-8-5-6-9-18(17)15-23-13-7-12-22-23/h2-13,16H,14-15H2,1H3,(H,21,24).
What are the key properties of 2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 351.48 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 46684646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).