2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide

C21H17Cl2NOS — CID 2198291

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H17Cl2NOS/c22-18-10-6-11-19(23)17(18)13-26-14-21(25)24-20-12-5-4-9-16(20)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,24,25)
InChIKeyNVGDYEZKSPNREY-UHFFFAOYSA-N
MW402.35 g/mol
LogP6.53
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide (PubChem CID 2198291) has the molecular formula C21H17Cl2NOS and a molecular weight of 402.35 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide
PubChem CID2198291
Molecular FormulaC21H17Cl2NOS
Molecular Weight402.35 g/mol
Exact Mass401.04
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H17Cl2NOS/c22-18-10-6-11-19(23)17(18)13-26-14-21(25)24-20-12-5-4-9-16(20)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,24,25)
InChIKeyNVGDYEZKSPNREY-UHFFFAOYSA-N
XLogP6.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.35
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cgp 37157
CID 2688
N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 894235
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CID 893736
N-(2-phenylphenyl)-2-phenylsulfanylacetamide
CID 2107916
2-benzylsulfanyl-N-(2-phenylphenyl)propanamide
CID 2942740
N-2-biphenylyl-2-[(4-chlorophenyl)thio]propanamide
CID 2942743
2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]-N-phenyl-acetamide
CID 11531205
2-[(2-chlorobenzyl)sulfinyl]-N-(2-chlorophenyl)acetamide
CID 3825971
N-2-biphenylyl-2-[(3-chlorobenzyl)thio]acetamide
CID 1296454
(5R)-7-chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2-one
CID 6604821
N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
CID 127050820
N-[4-[(Z)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
CID 127052978

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide (CID 2198291) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide is O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide?
The InChIKey is NVGDYEZKSPNREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NOS/c22-18-10-6-11-19(23)17(18)13-26-14-21(25)24-20-12-5-4-9-16(20)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,24,25).
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide has a molecular weight of 402.35 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 2198291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).