3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide

C18H20ClFN2O3S — CID 113144057

IUPAC3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCc1ccc(Cl)cc1N(CCC(=O)NCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C18H20ClFN2O3S/c1-13-7-8-15(19)11-17(13)22(26(2,24)25)10-9-18(23)21-12-14-5-3-4-6-16(14)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyWPTJDDOWQTYFDV-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.26
Rot. Bonds7

About 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide

3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 113144057) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID113144057
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCc1ccc(Cl)cc1N(CCC(=O)NCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C18H20ClFN2O3S/c1-13-7-8-15(19)11-17(13)22(26(2,24)25)10-9-18(23)21-12-14-5-3-4-6-16(14)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyWPTJDDOWQTYFDV-UHFFFAOYSA-N
XLogP3.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113144052
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142476
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113144050
3-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142916
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113133971
N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138770
N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1095286
N-(4-chloro-2-methylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141688
3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 109020765
3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113143546
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide (CID 113144057) is 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide is Cc1ccc(Cl)cc1N(CCC(=O)NCc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is WPTJDDOWQTYFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-13-7-8-15(19)11-17(13)22(26(2,24)25)10-9-18(23)21-12-14-5-3-4-6-16(14)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide?
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 398.89 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 113144057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).