N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide

C19H23NOS — CID 17381777

IUPACN-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide
SMILESCCC(C)c1ccccc1NC(=O)CCSc1ccccc1
InChIInChI=1S/C19H23NOS/c1-3-15(2)17-11-7-8-12-18(17)20-19(21)13-14-22-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,20,21)
InChIKeyZAJZKBAUZKUODV-UHFFFAOYSA-N
MW313.47 g/mol
LogP5.32
Rot. Bonds7

About N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide

N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide (PubChem CID 17381777) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide
PubChem CID17381777
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide
SMILESCCC(C)c1ccccc1NC(=O)CCSc1ccccc1
InChIInChI=1S/C19H23NOS/c1-3-15(2)17-11-7-8-12-18(17)20-19(21)13-14-22-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,20,21)
InChIKeyZAJZKBAUZKUODV-UHFFFAOYSA-N
XLogP5.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651134
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CID 889834
2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 2352126
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-chlorophenyl)-3-phenylsulfanylpropanamide
CID 7965800
2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 889563
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[(2S)-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 94665540
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-(2-butan-2-ylphenyl)-2-isocyanoacetamide
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3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 23973484

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide (CID 17381777) is N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide is CCC(C)c1ccccc1NC(=O)CCSc1ccccc1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide?
The InChIKey is ZAJZKBAUZKUODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-3-15(2)17-11-7-8-12-18(17)20-19(21)13-14-22-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide?
N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide has a molecular weight of 313.47 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 17381777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).