3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide

C19H21Cl2NOS — CID 100600308

IUPAC3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
SMILESCc1cccc(CSCCNC(=O)CCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H21Cl2NOS/c1-14-4-2-5-15(12-14)13-24-11-10-22-19(23)9-8-16-17(20)6-3-7-18(16)21/h2-7,12H,8-11,13H2,1H3,(H,22,23)
InChIKeyXIICFHCKJZWIJQ-UHFFFAOYSA-N
MW382.36 g/mol
LogP5.28
Rot. Bonds8

About 3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide

3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide (PubChem CID 100600308) has the molecular formula C19H21Cl2NOS and a molecular weight of 382.36 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
PubChem CID100600308
Molecular FormulaC19H21Cl2NOS
Molecular Weight382.36 g/mol
Exact Mass381.07
IUPAC Name3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
SMILESCc1cccc(CSCCNC(=O)CCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H21Cl2NOS/c1-14-4-2-5-15(12-14)13-24-11-10-22-19(23)9-8-16-17(20)6-3-7-18(16)21/h2-7,12H,8-11,13H2,1H3,(H,22,23)
InChIKeyXIICFHCKJZWIJQ-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
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-(3-chlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 100650916
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(3-methylphenyl)propanamide
CID 103800925
1-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-propylurea
CID 100748357
2-[(4-bromophenyl)methylsulfanyl]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 2972921
3-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 100588605
2-(2-chloro-6-fluorophenyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 32964688
2-(4-chloro-3-methylphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 132659532
N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide
CID 100605659
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 3899059
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-phenylbenzamide
CID 126175616
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 30378708
3-(4-chlorophenyl)sulfanyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]propanamide
CID 126035220

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide (CID 100600308) is 3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide is Cc1cccc(CSCCNC(=O)CCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide?
The InChIKey is XIICFHCKJZWIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NOS/c1-14-4-2-5-15(12-14)13-24-11-10-22-19(23)9-8-16-17(20)6-3-7-18(16)21/h2-7,12H,8-11,13H2,1H3,(H,22,23).
What are the key properties of 3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide?
3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide has a molecular weight of 382.36 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide is sourced from PubChem (CID 100600308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).