2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide

C28H33N5O5S — CID 23828128

IUPAC2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)C2C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C28H33N5O5S/c1-38-24-13-11-23(12-14-24)31-28(35)32-16-17-33(27(32)26(34)30-22-9-7-21(29)8-10-22)39(36,37)25-15-6-19-4-2-3-5-20(19)18-25/h2-6,11-15,18,21-22,27H,7-10,16-17,29H2,1H3,(H,30,34)(H,31,35)
InChIKeyMZAKZAURFGFSTK-UHFFFAOYSA-N
MW551.67 g/mol
LogP3.10
Rot. Bonds6

About 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide

2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide (PubChem CID 23828128) has the molecular formula C28H33N5O5S and a molecular weight of 551.67 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
PubChem CID23828128
Molecular FormulaC28H33N5O5S
Molecular Weight551.67 g/mol
Exact Mass551.22
IUPAC Name2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)C2C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C28H33N5O5S/c1-38-24-13-11-23(12-14-24)31-28(35)32-16-17-33(27(32)26(34)30-22-9-7-21(29)8-10-22)39(36,37)25-15-6-19-4-2-3-5-20(19)18-25/h2-6,11-15,18,21-22,27H,7-10,16-17,29H2,1H3,(H,30,34)(H,31,35)
InChIKeyMZAKZAURFGFSTK-UHFFFAOYSA-N
XLogP3.10
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.67
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide (CID 23828128) is 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide is COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)C2C(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide?
The InChIKey is MZAKZAURFGFSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O5S/c1-38-24-13-11-23(12-14-24)31-28(35)32-16-17-33(27(32)26(34)30-22-9-7-21(29)8-10-22)39(36,37)25-15-6-19-4-2-3-5-20(19)18-25/h2-6,11-15,18,21-22,27H,7-10,16-17,29H2,1H3,(H,30,34)(H,31,35).
What are the key properties of 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide?
2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide has a molecular weight of 551.67 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23828128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).