2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide

C18H25F2N5O4S — CID 23795385

IUPAC2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2F)C1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C18H25F2N5O4S/c1-30(28,29)25-9-8-24(18(27)23-15-7-2-11(19)10-14(15)20)17(25)16(26)22-13-5-3-12(21)4-6-13/h2,7,10,12-13,17H,3-6,8-9,21H2,1H3,(H,22,26)(H,23,27)
InChIKeyIVFWGHQBGRWYOE-UHFFFAOYSA-N
MW445.49 g/mol
LogP0.79
Rot. Bonds4

About 2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide

2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide (PubChem CID 23795385) has the molecular formula C18H25F2N5O4S and a molecular weight of 445.49 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide
PubChem CID23795385
Molecular FormulaC18H25F2N5O4S
Molecular Weight445.49 g/mol
Exact Mass445.16
IUPAC Name2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2F)C1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C18H25F2N5O4S/c1-30(28,29)25-9-8-24(18(27)23-15-7-2-11(19)10-14(15)20)17(25)16(26)22-13-5-3-12(21)4-6-13/h2,7,10,12-13,17H,3-6,8-9,21H2,1H3,(H,22,26)(H,23,27)
InChIKeyIVFWGHQBGRWYOE-UHFFFAOYSA-N
XLogP0.79
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide
CID 23764104
2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide
CID 23994221
2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-(3-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23821876
N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
CID 23767589
2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
CID 23828128
N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carboxamide
CID 23769733
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073
1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 78896653
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate
CID 115536165
(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 97271544
N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23937280

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide (CID 23795385) is 2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide is CS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2F)C1C(=O)NC1CCC(N)CC1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide?
The InChIKey is IVFWGHQBGRWYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N5O4S/c1-30(28,29)25-9-8-24(18(27)23-15-7-2-11(19)10-14(15)20)17(25)16(26)22-13-5-3-12(21)4-6-13/h2,7,10,12-13,17H,3-6,8-9,21H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide?
2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide has a molecular weight of 445.49 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23795385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).