N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C18H22FN3O4S — CID 18120037

IUPACN-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1
InChIInChI=1S/C18H22FN3O4S/c1-21(10-11-26-17-7-3-2-6-15(17)19)18(23)16-12-14(13-20-16)27(24,25)22-8-4-5-9-22/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3
InChIKeyDRCLXOVNDAELNG-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.09
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 18120037) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID18120037
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1
InChIInChI=1S/C18H22FN3O4S/c1-21(10-11-26-17-7-3-2-6-15(17)19)18(23)16-12-14(13-20-16)27(24,25)22-8-4-5-9-22/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3
InChIKeyDRCLXOVNDAELNG-UHFFFAOYSA-N
XLogP2.09
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 18120037) is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is CN(CCOc1ccccc1F)C(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is DRCLXOVNDAELNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c1-21(10-11-26-17-7-3-2-6-15(17)19)18(23)16-12-14(13-20-16)27(24,25)22-8-4-5-9-22/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18120037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).