N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide

C22H26FN5O4S — CID 23935371

IUPACN-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)c3cccnc3)CCN2S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN5O4S/c23-16-3-9-19(10-4-16)33(31,32)28-13-12-27(22(30)15-2-1-11-25-14-15)21(28)20(29)26-18-7-5-17(24)6-8-18/h1-4,9-11,14,17-18,21H,5-8,12-13,24H2,(H,26,29)
InChIKeyUWJAINQNQMBVTK-UHFFFAOYSA-N
MW475.55 g/mol
LogP1.08
Rot. Bonds5

About N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide

N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide (PubChem CID 23935371) has the molecular formula C22H26FN5O4S and a molecular weight of 475.55 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
PubChem CID23935371
Molecular FormulaC22H26FN5O4S
Molecular Weight475.55 g/mol
Exact Mass475.17
IUPAC NameN-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)c3cccnc3)CCN2S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN5O4S/c23-16-3-9-19(10-4-16)33(31,32)28-13-12-27(22(30)15-2-1-11-25-14-15)21(28)20(29)26-18-7-5-17(24)6-8-18/h1-4,9-11,14,17-18,21H,5-8,12-13,24H2,(H,26,29)
InChIKeyUWJAINQNQMBVTK-UHFFFAOYSA-N
XLogP1.08
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
CID 23740092
N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
CID 23767589
N-(2-aminoethyl)-1-benzoyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
CID 23798658
N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide
CID 23765869
N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23937280
2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide
CID 23941237
N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide
CID 23821148
N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23912600
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 84511159
N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carboxamide
CID 23769733
2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide
CID 23795385
2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
CID 23828128

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide (CID 23935371) is N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide is NC1CCC(NC(=O)C2N(C(=O)c3cccnc3)CCN2S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide?
The InChIKey is UWJAINQNQMBVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O4S/c23-16-3-9-19(10-4-16)33(31,32)28-13-12-27(22(30)15-2-1-11-25-14-15)21(28)20(29)26-18-7-5-17(24)6-8-18/h1-4,9-11,14,17-18,21H,5-8,12-13,24H2,(H,26,29).
What are the key properties of N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide?
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide is sourced from PubChem (CID 23935371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).