2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide

C19H21Cl2NOS — CID 92673206

IUPAC2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H21Cl2NOS/c1-12-4-5-13(2)16(8-12)14(3)22-19(23)11-24-10-15-6-7-17(20)18(21)9-15/h4-9,14H,10-11H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyPNJLJTYZEVEIDF-AWEZNQCLSA-N
MW382.36 g/mol
LogP5.72
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide (PubChem CID 92673206) has the molecular formula C19H21Cl2NOS and a molecular weight of 382.36 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
PubChem CID92673206
Molecular FormulaC19H21Cl2NOS
Molecular Weight382.36 g/mol
Exact Mass381.07
IUPAC Name2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H21Cl2NOS/c1-12-4-5-13(2)16(8-12)14(3)22-19(23)11-24-10-15-6-7-17(20)18(21)9-15/h4-9,14H,10-11H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyPNJLJTYZEVEIDF-AWEZNQCLSA-N
XLogP5.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.36
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133220345
2-[(2-chlorophenyl)methylsulfanyl]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 132652858
2-[(3-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 92675751
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 28569554
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28567054
N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 132651519
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 92680272
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 99130682
2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 9301227
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 133217488
2-(2-chlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327434

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide (CID 92673206) is 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide is Cc1ccc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The InChIKey is PNJLJTYZEVEIDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21Cl2NOS/c1-12-4-5-13(2)16(8-12)14(3)22-19(23)11-24-10-15-6-7-17(20)18(21)9-15/h4-9,14H,10-11H2,1-3H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide has a molecular weight of 382.36 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 92673206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).