methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate

C23H28N2O4S — CID 139391544

IUPACmethyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(C2CCCCC2)csc1NC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H28N2O4S/c1-28-23(27)20-19(16-5-3-2-4-6-16)15-30-22(20)24-21(26)17-7-9-18(10-8-17)25-11-13-29-14-12-25/h7-10,15-16H,2-6,11-14H2,1H3,(H,24,26)
InChIKeyXUDZOWNRQKTZQM-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.67
Rot. Bonds5

About methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate

methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate (PubChem CID 139391544) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate
PubChem CID139391544
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Namemethyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(C2CCCCC2)csc1NC(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H28N2O4S/c1-28-23(27)20-19(16-5-3-2-4-6-16)15-30-22(20)24-21(26)17-7-9-18(10-8-17)25-11-13-29-14-12-25/h7-10,15-16H,2-6,11-14H2,1H3,(H,24,26)
InChIKeyXUDZOWNRQKTZQM-UHFFFAOYSA-N
XLogP4.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate (CID 139391544) is methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate is COC(=O)c1c(C2CCCCC2)csc1NC(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is XUDZOWNRQKTZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-28-23(27)20-19(16-5-3-2-4-6-16)15-30-22(20)24-21(26)17-7-9-18(10-8-17)25-11-13-29-14-12-25/h7-10,15-16H,2-6,11-14H2,1H3,(H,24,26).
What are the key properties of methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate?
methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 428.55 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclohexyl-2-[(4-morpholin-4-ylbenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 139391544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).