N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide

C19H21FN4O4S — CID 23798658

IUPACN-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
SMILESNCCNC(=O)C1N(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O4S/c20-15-6-8-16(9-7-15)29(27,28)24-13-12-23(18(24)17(25)22-11-10-21)19(26)14-4-2-1-3-5-14/h1-9,18H,10-13,21H2,(H,22,25)
InChIKeyUURGEBZDDOYRQL-UHFFFAOYSA-N
MW420.47 g/mol
LogP0.37
Rot. Bonds6

About N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide

N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide (PubChem CID 23798658) has the molecular formula C19H21FN4O4S and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
PubChem CID23798658
Molecular FormulaC19H21FN4O4S
Molecular Weight420.47 g/mol
Exact Mass420.13
IUPAC NameN-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
SMILESNCCNC(=O)C1N(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O4S/c20-15-6-8-16(9-7-15)29(27,28)24-13-12-23(18(24)17(25)22-11-10-21)19(26)14-4-2-1-3-5-14/h1-9,18H,10-13,21H2,(H,22,25)
InChIKeyUURGEBZDDOYRQL-UHFFFAOYSA-N
XLogP0.37
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-benzoyl-3-(4-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23770863
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-(2-aminoethyl)-1-N-(3-fluorophenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
CID 23764422
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
CID 23935371
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide
CID 23762658
N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide
CID 23932983
N-[[3-(aminomethyl)phenyl]methyl]-1-(4-fluorophenyl)sulfonyl-3-(2-methoxyacetyl)imidazolidine-2-carboxamide
CID 23733168
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23936872
1-benzoyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-1,3-diazinane-2-carboxamide
CID 18414045
3-[[1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid
CID 23991397
1-(4-fluorophenyl)sulfonyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 18150496

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide (CID 23798658) is N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide is NCCNC(=O)C1N(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide?
The InChIKey is UURGEBZDDOYRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4S/c20-15-6-8-16(9-7-15)29(27,28)24-13-12-23(18(24)17(25)22-11-10-21)19(26)14-4-2-1-3-5-14/h1-9,18H,10-13,21H2,(H,22,25).
What are the key properties of N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide?
N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide is sourced from PubChem (CID 23798658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).