2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide

C23H24FN5O4S — CID 23764422

IUPAC2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
SMILESNCCNC(=O)C1N(C(=O)Nc2cccc(F)c2)CCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H24FN5O4S/c24-18-6-3-7-19(15-18)27-23(31)28-12-13-29(22(28)21(30)26-11-10-25)34(32,33)20-9-8-16-4-1-2-5-17(16)14-20/h1-9,14-15,22H,10-13,25H2,(H,26,30)(H,27,31)
InChIKeyGWSFRNFLCSHCFP-UHFFFAOYSA-N
MW485.54 g/mol
LogP1.92
Rot. Bonds6

About 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide

2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide (PubChem CID 23764422) has the molecular formula C23H24FN5O4S and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
PubChem CID23764422
Molecular FormulaC23H24FN5O4S
Molecular Weight485.54 g/mol
Exact Mass485.15
IUPAC Name2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
SMILESNCCNC(=O)C1N(C(=O)Nc2cccc(F)c2)CCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H24FN5O4S/c24-18-6-3-7-19(15-18)27-23(31)28-12-13-29(22(28)21(30)26-11-10-25)34(32,33)20-9-8-16-4-1-2-5-17(16)14-20/h1-9,14-15,22H,10-13,25H2,(H,26,30)(H,27,31)
InChIKeyGWSFRNFLCSHCFP-UHFFFAOYSA-N
XLogP1.92
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779300
2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-N-(3-fluorophenyl)-1,3-diazinane-1,2,3-tricarboxamide
CID 23988623
N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
CID 23798658
2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
CID 23828128
2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-(3-fluorobenzoyl)imidazolidine-1,2-dicarboxamide
CID 23910151
2-N-(2-aminoethyl)-3-(3-bromobenzoyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23931787
N-(3-fluorophenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3925269
2-N-(2-aminoethyl)-3-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-N-(3-fluorophenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23939516
2-N-(2-aminoethyl)-1-N-(3-chlorophenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide
CID 23847776
N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide
CID 23883531
2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23995498
2-N-[[3-(aminomethyl)phenyl]methyl]-3-N-(3,4-dichlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide
CID 23907719

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide (CID 23764422) is 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide is NCCNC(=O)C1N(C(=O)Nc2cccc(F)c2)CCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide?
The InChIKey is GWSFRNFLCSHCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4S/c24-18-6-3-7-19(15-18)27-23(31)28-12-13-29(22(28)21(30)26-11-10-25)34(32,33)20-9-8-16-4-1-2-5-17(16)14-20/h1-9,14-15,22H,10-13,25H2,(H,26,30)(H,27,31).
What are the key properties of 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide?
2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide has a molecular weight of 485.54 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23764422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).