N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide

C17H17NO2S — CID 43413830

IUPACN-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO2S/c1-12(17(20)14-6-4-3-5-7-14)21-16-10-8-15(9-11-16)18-13(2)19/h3-12H,1-2H3,(H,18,19)
InChIKeyZJKLDVPSIHJFLC-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.01
Rot. Bonds5

About N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide

N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide (PubChem CID 43413830) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide
PubChem CID43413830
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC NameN-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO2S/c1-12(17(20)14-6-4-3-5-7-14)21-16-10-8-15(9-11-16)18-13(2)19/h3-12H,1-2H3,(H,18,19)
InChIKeyZJKLDVPSIHJFLC-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 112778861
2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one
CID 43411864
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 8948623
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide
CID 84601741
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
CID 110793142
N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 8837256
N-[4-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]phenyl]acetamide
CID 18085161

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide (CID 43413830) is N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SC(C)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide?
The InChIKey is ZJKLDVPSIHJFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-12(17(20)14-6-4-3-5-7-14)21-16-10-8-15(9-11-16)18-13(2)19/h3-12H,1-2H3,(H,18,19).
What are the key properties of N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide?
N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide has a molecular weight of 299.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 43413830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).