2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C22H25ClFN3O3S — CID 17432024

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H25ClFN3O3S/c23-20-4-3-5-21(24)19(20)14-26(17-8-9-17)15-22(28)25-16-6-10-18(11-7-16)31(29,30)27-12-1-2-13-27/h3-7,10-11,17H,1-2,8-9,12-15H2,(H,25,28)
InChIKeyHGPGFWQXSVFASD-UHFFFAOYSA-N
MW465.98 g/mol
LogP3.87
Rot. Bonds8

About 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 17432024) has the molecular formula C22H25ClFN3O3S and a molecular weight of 465.98 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID17432024
Molecular FormulaC22H25ClFN3O3S
Molecular Weight465.98 g/mol
Exact Mass465.13
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H25ClFN3O3S/c23-20-4-3-5-21(24)19(20)14-26(17-8-9-17)15-22(28)25-16-6-10-18(11-7-16)31(29,30)27-12-1-2-13-27/h3-7,10-11,17H,1-2,8-9,12-15H2,(H,25,28)
InChIKeyHGPGFWQXSVFASD-UHFFFAOYSA-N
XLogP3.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
CID 2230214
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17489433
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,5-difluorophenyl)acetamide
CID 34717732
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-chloro-6-fluorobenzoate
CID 2501169
4-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 78829478
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92685375
2,6-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1247061
2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17312955
2-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 17478720
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 34718564
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2,6-dichlorobenzoate
CID 2489065
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 29441482

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 17432024) is 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is HGPGFWQXSVFASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O3S/c23-20-4-3-5-21(24)19(20)14-26(17-8-9-17)15-22(28)25-16-6-10-18(11-7-16)31(29,30)27-12-1-2-13-27/h3-7,10-11,17H,1-2,8-9,12-15H2,(H,25,28).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 465.98 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 17432024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).