[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate

C24H34N2O7S — CID 6291897

IUPAC[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCC(=O)NC2CCCC(C)C2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H34N2O7S/c1-17-5-4-6-20(18(17)2)25-23(27)16-33-24(28)10-8-19-7-9-21(31-3)22(15-19)34(29,30)26-11-13-32-14-12-26/h7-10,15,17-18,20H,4-6,11-14,16H2,1-3H3,(H,25,27)/b10-8+
InChIKeyYPTPKSYGOZFXJT-CSKARUKUSA-N
MW494.61 g/mol
LogP2.21
Rot. Bonds8

About [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate (PubChem CID 6291897) has the molecular formula C24H34N2O7S and a molecular weight of 494.61 g/mol. Its IUPAC name is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
PubChem CID6291897
Molecular FormulaC24H34N2O7S
Molecular Weight494.61 g/mol
Exact Mass494.21
IUPAC Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCC(=O)NC2CCCC(C)C2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H34N2O7S/c1-17-5-4-6-20(18(17)2)25-23(27)16-33-24(28)10-8-19-7-9-21(31-3)22(15-19)34(29,30)26-11-13-32-14-12-26/h7-10,15,17-18,20H,4-6,11-14,16H2,1-3H3,(H,25,27)/b10-8+
InChIKeyYPTPKSYGOZFXJT-CSKARUKUSA-N
XLogP2.21
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate 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-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
The IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate (CID 6291897) is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate.
What is the SMILES notation for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
The canonical SMILES for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)OCC(=O)NC2CCCC(C)C2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
The InChIKey is YPTPKSYGOZFXJT-CSKARUKUSA-N. The full InChI is InChI=1S/C24H34N2O7S/c1-17-5-4-6-20(18(17)2)25-23(27)16-33-24(28)10-8-19-7-9-21(31-3)22(15-19)34(29,30)26-11-13-32-14-12-26/h7-10,15,17-18,20H,4-6,11-14,16H2,1-3H3,(H,25,27)/b10-8+.
What are the key properties of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate?
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate has a molecular weight of 494.61 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate is sourced from PubChem (CID 6291897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).