N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide

C15H23FN4O5S2 — CID 23883531

IUPACN-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)C1C(=O)NCCN
InChIInChI=1S/C15H23FN4O5S2/c1-2-11-26(22,23)19-9-10-20(15(19)14(21)18-8-7-17)27(24,25)13-5-3-12(16)4-6-13/h3-6,15H,2,7-11,17H2,1H3,(H,18,21)
InChIKeyLNJBZTSNAQYYGO-UHFFFAOYSA-N
MW422.50 g/mol
LogP-0.73
Rot. Bonds8

About N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide

N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide (PubChem CID 23883531) has the molecular formula C15H23FN4O5S2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide
PubChem CID23883531
Molecular FormulaC15H23FN4O5S2
Molecular Weight422.50 g/mol
Exact Mass422.11
IUPAC NameN-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)C1C(=O)NCCN
InChIInChI=1S/C15H23FN4O5S2/c1-2-11-26(22,23)19-9-10-20(15(19)14(21)18-8-7-17)27(24,25)13-5-3-12(16)4-6-13/h3-6,15H,2,7-11,17H2,1H3,(H,18,21)
InChIKeyLNJBZTSNAQYYGO-UHFFFAOYSA-N
XLogP-0.73
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide (CID 23883531) is N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide is CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)C1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide?
The InChIKey is LNJBZTSNAQYYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O5S2/c1-2-11-26(22,23)19-9-10-20(15(19)14(21)18-8-7-17)27(24,25)13-5-3-12(16)4-6-13/h3-6,15H,2,7-11,17H2,1H3,(H,18,21).
What are the key properties of N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide?
N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide has a molecular weight of 422.50 g/mol, XLogP of -0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide is sourced from PubChem (CID 23883531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).