2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide

C19H22FN3O3S — CID 18190088

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3S/c1-22(27(25,26)16-10-8-15(20)9-11-16)14-19(24)21-17-6-2-3-7-18(17)23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,24)
InChIKeyAQTUHIUVEBXSAT-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.69
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 18190088) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID18190088
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3S/c1-22(27(25,26)16-10-8-15(20)9-11-16)14-19(24)21-17-6-2-3-7-18(17)23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,24)
InChIKeyAQTUHIUVEBXSAT-UHFFFAOYSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 18190088) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide is CN(CC(=O)Nc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is AQTUHIUVEBXSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-22(27(25,26)16-10-8-15(20)9-11-16)14-19(24)21-17-6-2-3-7-18(17)23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,24).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 18190088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).