2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C19H21ClFNOS — CID 100719936

IUPAC2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSCc1ccc(Cl)cc1F
InChIInChI=1S/C19H21ClFNOS/c1-12(2)16-6-4-5-13(3)19(16)22-18(23)11-24-10-14-7-8-15(20)9-17(14)21/h4-9,12H,10-11H2,1-3H3,(H,22,23)
InChIKeyKEROXAQCBDYEFJ-UHFFFAOYSA-N
MW365.90 g/mol
LogP5.78
Rot. Bonds6

About 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 100719936) has the molecular formula C19H21ClFNOS and a molecular weight of 365.90 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID100719936
Molecular FormulaC19H21ClFNOS
Molecular Weight365.90 g/mol
Exact Mass365.10
IUPAC Name2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSCc1ccc(Cl)cc1F
InChIInChI=1S/C19H21ClFNOS/c1-12(2)16-6-4-5-13(3)19(16)22-18(23)11-24-10-14-7-8-15(20)9-17(14)21/h4-9,12H,10-11H2,1-3H3,(H,22,23)
InChIKeyKEROXAQCBDYEFJ-UHFFFAOYSA-N
XLogP5.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 100523985
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 31543702
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2591845
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 99824628
2-(2,4-difluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9046159
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9331155
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
CID 7951150
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 46693728
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2338112
N-[(2S)-butan-2-yl]-2-[(4-chloro-2-fluorophenyl)methylsulfanyl]acetamide
CID 99824619
N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954608

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 100719936) is 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CSCc1ccc(Cl)cc1F.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is KEROXAQCBDYEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNOS/c1-12(2)16-6-4-5-13(3)19(16)22-18(23)11-24-10-14-7-8-15(20)9-17(14)21/h4-9,12H,10-11H2,1-3H3,(H,22,23).
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 365.90 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 100719936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).