2-benzhydrylsulfanyl-2-methylpropanamide

C17H19NOS — CID 15225702

IUPAC2-benzhydrylsulfanyl-2-methylpropanamide
SMILESCC(C)(SC(c1ccccc1)c1ccccc1)C(N)=O
InChIInChI=1S/C17H19NOS/c1-17(2,16(18)19)20-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3,(H2,18,19)
InChIKeyYFMYUIJUHZOMRC-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.77
Rot. Bonds5

About 2-benzhydrylsulfanyl-2-methylpropanamide

2-benzhydrylsulfanyl-2-methylpropanamide (PubChem CID 15225702) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-2-methylpropanamide.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-2-methylpropanamide
PubChem CID15225702
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-benzhydrylsulfanyl-2-methylpropanamide
SMILESCC(C)(SC(c1ccccc1)c1ccccc1)C(N)=O
InChIInChI=1S/C17H19NOS/c1-17(2,16(18)19)20-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3,(H2,18,19)
InChIKeyYFMYUIJUHZOMRC-UHFFFAOYSA-N
XLogP3.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-3-hydroxy-2-methyl-3-phenylpropanamide
CID 11424108
ethyl 2-benzhydrylsulfanyl-2,2-difluoroacetate
CID 59639402
2,2-bis(1-phenylethyl)propanediamide
CID 118221756
4,4-dimethyl-3-phenylpentanamide
CID 82077159
(2R,3R)-2,3-difluoro-2-methyl-3-phenylpropanamide
CID 155931604
(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid
CID 24999684
4,4,4-trifluoro-2-hydroxy-2-methyl-3-phenylbutanamide
CID 175410360
2-(2-hydroxy-2-phenylethyl)sulfanyl-2-methylpropanoic acid
CID 81230756
(2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 58241665
2-[fluoro(phenyl)methyl]-2-methylbutanamide
CID 66580068
3-benzyl-2,2-dimethyl-4-phenylbutanamide
CID 175211278
(2R)-2-methylsulfanyl-2-phenylacetamide
CID 101026307

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-2-methylpropanamide?
The IUPAC name of 2-benzhydrylsulfanyl-2-methylpropanamide (CID 15225702) is 2-benzhydrylsulfanyl-2-methylpropanamide.
What is the SMILES notation for 2-benzhydrylsulfanyl-2-methylpropanamide?
The canonical SMILES for 2-benzhydrylsulfanyl-2-methylpropanamide is CC(C)(SC(c1ccccc1)c1ccccc1)C(N)=O.
What is the InChIKey of 2-benzhydrylsulfanyl-2-methylpropanamide?
The InChIKey is YFMYUIJUHZOMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-17(2,16(18)19)20-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3,(H2,18,19).
What are the key properties of 2-benzhydrylsulfanyl-2-methylpropanamide?
2-benzhydrylsulfanyl-2-methylpropanamide has a molecular weight of 285.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-2-methylpropanamide is sourced from PubChem (CID 15225702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).