N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide

C19H23NOS — CID 94018852

IUPACN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C19H23NOS/c1-13-5-8-17(9-6-13)22-12-19(21)20-16(4)18-10-7-14(2)11-15(18)3/h5-11,16H,12H2,1-4H3,(H,20,21)/t16-/m1/s1
InChIKeyQZQBSECQPJSHJT-MRXNPFEDSA-N
MW313.47 g/mol
LogP4.58
Rot. Bonds5

About N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 94018852) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID94018852
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C19H23NOS/c1-13-5-8-17(9-6-13)22-12-19(21)20-16(4)18-10-7-14(2)11-15(18)3/h5-11,16H,12H2,1-4H3,(H,20,21)/t16-/m1/s1
InChIKeyQZQBSECQPJSHJT-MRXNPFEDSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46771387
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 99130682
2-[2-[1-(2,4-dimethylphenyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 113222453
2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132652855
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 92676888
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 53278970
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 99130631
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652
N-[1-(2,4-dimethylphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79287564
5-[1-(2,4-dimethylphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62964709
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 28574214

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide (CID 94018852) is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is QZQBSECQPJSHJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NOS/c1-13-5-8-17(9-6-13)22-12-19(21)20-16(4)18-10-7-14(2)11-15(18)3/h5-11,16H,12H2,1-4H3,(H,20,21)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 313.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 94018852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).