N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide

C15H19N5O4S — CID 23932983

IUPACN-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C1C(=O)NCCN
InChIInChI=1S/C15H19N5O4S/c1-25(23,24)20-9-8-19(14(20)13(21)18-7-6-16)15(22)12-4-2-11(10-17)3-5-12/h2-5,14H,6-9,16H2,1H3,(H,18,21)
InChIKeyGGJGMHYXJXIUQA-UHFFFAOYSA-N
MW365.42 g/mol
LogP-1.32
Rot. Bonds5

About N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide

N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide (PubChem CID 23932983) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide
PubChem CID23932983
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC NameN-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C1C(=O)NCCN
InChIInChI=1S/C15H19N5O4S/c1-25(23,24)20-9-8-19(14(20)13(21)18-7-6-16)15(22)12-4-2-11(10-17)3-5-12/h2-5,14H,6-9,16H2,1H3,(H,18,21)
InChIKeyGGJGMHYXJXIUQA-UHFFFAOYSA-N
XLogP-1.32
TPSA136.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
CID 23798658
N-(2-aminoethyl)-1-benzoyl-3-(4-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23770863
1-(4-cyanobenzoyl)-N-propylazepane-2-carboxamide
CID 132597223
(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide
CID 23828202
2-N-(2-aminoethyl)-3-(4-fluorobenzoyl)-1-N-(4-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23995498
N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide
CID 23884474
4-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
CID 66260511
4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
CID 79028617
N-(2-aminoethyl)-1-(4-cyanophenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971084
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23936872
(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
CID 23792648
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide
CID 23762658

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide (CID 23932983) is N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide is CS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide?
The InChIKey is GGJGMHYXJXIUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-25(23,24)20-9-8-19(14(20)13(21)18-7-6-16)15(22)12-4-2-11(10-17)3-5-12/h2-5,14H,6-9,16H2,1H3,(H,18,21).
What are the key properties of N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide?
N-(2-aminoethyl)-1-(4-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide has a molecular weight of 365.42 g/mol, XLogP of -1.32, 5 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-cyanobenzoyl)-3-methylsulfonylimidazolidine-2-carboxamide is sourced from PubChem (CID 23932983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).