N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide

C19H21Cl2NOS — CID 100554672

IUPACN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide
SMILESCCc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2NOS/c1-2-14-3-5-15(6-4-14)11-19(23)22-9-10-24-13-16-7-8-17(20)12-18(16)21/h3-8,12H,2,9-11,13H2,1H3,(H,22,23)
InChIKeyGNHFHTZKTALAPY-UHFFFAOYSA-N
MW382.36 g/mol
LogP5.15
Rot. Bonds8

About N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide

N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide (PubChem CID 100554672) has the molecular formula C19H21Cl2NOS and a molecular weight of 382.36 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide
PubChem CID100554672
Molecular FormulaC19H21Cl2NOS
Molecular Weight382.36 g/mol
Exact Mass381.07
IUPAC NameN-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide
SMILESCCc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2NOS/c1-2-14-3-5-15(6-4-14)11-19(23)22-9-10-24-13-16-7-8-17(20)12-18(16)21/h3-8,12H,2,9-11,13H2,1H3,(H,22,23)
InChIKeyGNHFHTZKTALAPY-UHFFFAOYSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.36
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 2290637
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-nitrophenyl)acetamide
CID 126180632
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide
CID 38016538
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2,4-dimethylbenzamide
CID 100601656
N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide
CID 100605659
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
CID 100621291
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-4-propan-2-yloxybenzamide
CID 9180021
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-4-ethoxy-3-methylbenzamide
CID 100768676
2-(4-chloro-3-methylphenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]butanamide
CID 132673957
(2R)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methylphenoxy)butanamide
CID 28635218
methyl 3-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]propanoate
CID 134026477
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(methylamino)propyl]acetamide
CID 119431045

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide (CID 100554672) is N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide is CCc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide?
The InChIKey is GNHFHTZKTALAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NOS/c1-2-14-3-5-15(6-4-14)11-19(23)22-9-10-24-13-16-7-8-17(20)12-18(16)21/h3-8,12H,2,9-11,13H2,1H3,(H,22,23).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide?
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide has a molecular weight of 382.36 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide is sourced from PubChem (CID 100554672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).