4-[(4-acetamidophenyl)sulfanylmethyl]benzamide

C16H16N2O2S — CID 27355031

IUPAC4-[(4-acetamidophenyl)sulfanylmethyl]benzamide
SMILESCC(=O)Nc1ccc(SCc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-11(19)18-14-6-8-15(9-7-14)21-10-12-2-4-13(5-3-12)16(17)20/h2-9H,10H2,1H3,(H2,17,20)(H,18,19)
InChIKeyDGFAKCDKEUGIFV-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.04
Rot. Bonds5

About 4-[(4-acetamidophenyl)sulfanylmethyl]benzamide

4-[(4-acetamidophenyl)sulfanylmethyl]benzamide (PubChem CID 27355031) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[(4-acetamidophenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name4-[(4-acetamidophenyl)sulfanylmethyl]benzamide
PubChem CID27355031
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-[(4-acetamidophenyl)sulfanylmethyl]benzamide
SMILESCC(=O)Nc1ccc(SCc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-11(19)18-14-6-8-15(9-7-14)21-10-12-2-4-13(5-3-12)16(17)20/h2-9H,10H2,1H3,(H2,17,20)(H,18,19)
InChIKeyDGFAKCDKEUGIFV-UHFFFAOYSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
4-[(4-bromophenyl)methylsulfanyl]benzamide
CID 101354416
N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide
CID 18209765
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide
CID 63582844
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
2-(4-acetamidophenyl)sulfanylethyl acetate
CID 71349184
1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea
CID 134116571
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22777218
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
CID 117033736
4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide
CID 8580249

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetamidophenyl)sulfanylmethyl]benzamide?
The IUPAC name of 4-[(4-acetamidophenyl)sulfanylmethyl]benzamide (CID 27355031) is 4-[(4-acetamidophenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for 4-[(4-acetamidophenyl)sulfanylmethyl]benzamide?
The canonical SMILES for 4-[(4-acetamidophenyl)sulfanylmethyl]benzamide is CC(=O)Nc1ccc(SCc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[(4-acetamidophenyl)sulfanylmethyl]benzamide?
The InChIKey is DGFAKCDKEUGIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11(19)18-14-6-8-15(9-7-14)21-10-12-2-4-13(5-3-12)16(17)20/h2-9H,10H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 4-[(4-acetamidophenyl)sulfanylmethyl]benzamide?
4-[(4-acetamidophenyl)sulfanylmethyl]benzamide has a molecular weight of 300.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetamidophenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 27355031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).