2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide

C19H22ClFN2O3S — CID 30223013

IUPAC2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESCc1c(Cl)cccc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22ClFN2O3S/c1-14-17(20)6-3-7-18(14)23(27(2,25)26)13-19(24)22-12-4-5-15-8-10-16(21)11-9-15/h3,6-11H,4-5,12-13H2,1-2H3,(H,22,24)
InChIKeyCXQJUOSBNMTKDL-UHFFFAOYSA-N
MW412.91 g/mol
LogP3.30
Rot. Bonds8

About 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide

2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide (PubChem CID 30223013) has the molecular formula C19H22ClFN2O3S and a molecular weight of 412.91 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
PubChem CID30223013
Molecular FormulaC19H22ClFN2O3S
Molecular Weight412.91 g/mol
Exact Mass412.10
IUPAC Name2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESCc1c(Cl)cccc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22ClFN2O3S/c1-14-17(20)6-3-7-18(14)23(27(2,25)26)13-19(24)22-12-4-5-15-8-10-16(21)11-9-15/h3,6-11H,4-5,12-13H2,1-2H3,(H,22,24)
InChIKeyCXQJUOSBNMTKDL-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30219314
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338522
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113154876
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 30223080
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 51342896
N-[3-(4-fluorophenyl)propyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 30219422
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30242581
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)acetamide
CID 6492937
N-[3-(4-fluorophenyl)propyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30221272
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30252886
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43881393
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143992

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide (CID 30223013) is 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide is Cc1c(Cl)cccc1N(CC(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
The InChIKey is CXQJUOSBNMTKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3S/c1-14-17(20)6-3-7-18(14)23(27(2,25)26)13-19(24)22-12-4-5-15-8-10-16(21)11-9-15/h3,6-11H,4-5,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide has a molecular weight of 412.91 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 30223013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).