3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide

C18H21NOS — CID 23973484

IUPAC3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCSc2ccccc2)cc1
InChIInChI=1S/C18H21NOS/c1-14(2)15-8-10-16(11-9-15)19-18(20)12-13-21-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyCGFAJGCXVMMWGS-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.93
Rot. Bonds6

About 3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide

3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 23973484) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
PubChem CID23973484
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCSc2ccccc2)cc1
InChIInChI=1S/C18H21NOS/c1-14(2)15-8-10-16(11-9-15)19-18(20)12-13-21-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,19,20)
InChIKeyCGFAJGCXVMMWGS-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-(4-propan-2-ylphenyl)propanamide
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4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
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N-[4-(cyanomethyl)phenyl]-3-phenylsulfanylpropanamide
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N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
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3-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 53293580
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
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N-(3-acetylphenyl)-3-phenylsulfanylpropanamide
CID 1322631
N-[(2S)-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
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(E)-3-phenylsulfanyl-N-(4-propan-2-ylphenyl)prop-2-enamide
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N-phenyl-3-propan-2-ylsulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide (CID 23973484) is 3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)CCSc2ccccc2)cc1.
What is the InChIKey of 3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is CGFAJGCXVMMWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-14(2)15-8-10-16(11-9-15)19-18(20)12-13-21-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,19,20).
What are the key properties of 3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide?
3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 299.44 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 23973484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).