N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide

C20H20Cl2FN3O4S — CID 55613853

IUPACN-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide
SMILESCN(CC(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H20Cl2FN3O4S/c1-25(31(29,30)17-6-4-15(23)5-7-17)12-19(27)26-8-2-3-18(26)20(28)24-16-10-13(21)9-14(22)11-16/h4-7,9-11,18H,2-3,8,12H2,1H3,(H,24,28)
InChIKeyKXMWZBRWBYDDIK-UHFFFAOYSA-N
MW488.37 g/mol
LogP3.38
Rot. Bonds6

About N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide

N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 55613853) has the molecular formula C20H20Cl2FN3O4S and a molecular weight of 488.37 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide
PubChem CID55613853
Molecular FormulaC20H20Cl2FN3O4S
Molecular Weight488.37 g/mol
Exact Mass487.05
IUPAC NameN-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide
SMILESCN(CC(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H20Cl2FN3O4S/c1-25(31(29,30)17-6-4-15(23)5-7-17)12-19(27)26-8-2-3-18(26)20(28)24-16-10-13(21)9-14(22)11-16/h4-7,9-11,18H,2-3,8,12H2,1H3,(H,24,28)
InChIKeyKXMWZBRWBYDDIK-UHFFFAOYSA-N
XLogP3.38
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-1-[2-(3-fluorophenyl)acetyl]pyrrolidine-2-carboxamide
CID 55613895
1-[2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56544353
N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide
CID 55873784
N-(3,5-dichlorophenyl)-1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide
CID 119731301
N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide
CID 55613875
1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 119731279
N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide
CID 78862576
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 119467147
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293621
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 119378427

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide (CID 55613853) is N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide is CN(CC(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is KXMWZBRWBYDDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2FN3O4S/c1-25(31(29,30)17-6-4-15(23)5-7-17)12-19(27)26-8-2-3-18(26)20(28)24-16-10-13(21)9-14(22)11-16/h4-7,9-11,18H,2-3,8,12H2,1H3,(H,24,28).
What are the key properties of N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide?
N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 488.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55613853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).