N-benzyl-2-(4-methylphenyl)sulfanylacetamide

C16H17NOS — CID 846551

IUPACN-benzyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-13-7-9-15(10-8-13)19-12-16(18)17-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyZCVGBMHUNZITFH-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.40
Rot. Bonds5

About N-benzyl-2-(4-methylphenyl)sulfanylacetamide

N-benzyl-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 846551) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-benzyl-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methylphenyl)sulfanylacetamide
PubChem CID846551
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-benzyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-13-7-9-15(10-8-13)19-12-16(18)17-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyZCVGBMHUNZITFH-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-phenylsulfanylacetamide
CID 846429
N-(1-phenylethyl)-2-(phenylthio)acetamide
CID 2889950
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
2-(benzylsulfanyl)-N-(4-methylbenzyl)acetamide
CID 817430
2-[(4-methylphenyl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 846869
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenylthio)acetamide
CID 977302
N-(2-phenylethyl)-2-(phenylsulfanyl)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
2-fluoro-N-{2-[(4-methylphenyl)sulfanyl]ethyl}benzamide
CID 2985265
N-(4-fluorobenzyl)-2-[(4-methylbenzyl)thio]acetamide
CID 3332623
N-(4-methylbenzyl)-3-[(4-methylbenzyl)thio]propanamide
CID 4086402

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(4-methylphenyl)sulfanylacetamide (CID 846551) is N-benzyl-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is ZCVGBMHUNZITFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-13-7-9-15(10-8-13)19-12-16(18)17-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of N-benzyl-2-(4-methylphenyl)sulfanylacetamide?
N-benzyl-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 271.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 846551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).