N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide

C15H20N2OS — CID 103706215

IUPACN-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide
SMILESCC(C)C(C)SCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H20N2OS/c1-11(2)12(3)19-8-7-15(18)17-14-6-4-5-13(9-14)10-16/h4-6,9,11-12H,7-8H2,1-3H3,(H,17,18)
InChIKeyLTVSNEQGJIPVAJ-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.66
Rot. Bonds6

About N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide

N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide (PubChem CID 103706215) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide
PubChem CID103706215
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide
SMILESCC(C)C(C)SCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H20N2OS/c1-11(2)12(3)19-8-7-15(18)17-14-6-4-5-13(9-14)10-16/h4-6,9,11-12H,7-8H2,1-3H3,(H,17,18)
InChIKeyLTVSNEQGJIPVAJ-UHFFFAOYSA-N
XLogP3.66
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-cyanophenyl)octanamide
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N-(3-cyanophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
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[3-(3-cyanoanilino)-3-oxopropyl]phosphonic acid
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3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
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3-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)propanamide
CID 62647174
methyl 3-[4-(3-cyanoanilino)-4-oxobutyl]sulfanylpropanoate
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N-(3-cyanophenyl)-4-(2-methoxyethylsulfanyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide (CID 103706215) is N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide is CC(C)C(C)SCCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide?
The InChIKey is LTVSNEQGJIPVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(2)12(3)19-8-7-15(18)17-14-6-4-5-13(9-14)10-16/h4-6,9,11-12H,7-8H2,1-3H3,(H,17,18).
What are the key properties of N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide?
N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide has a molecular weight of 276.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide is sourced from PubChem (CID 103706215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).