N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C28H33N3O4S — CID 3215427

IUPACN-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2sc(C)nc2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H33N3O4S/c1-18-26(36-19(2)29-18)28(33)31(22-12-16-24(35-4)17-13-22)25(20-10-14-23(34-3)15-11-20)27(32)30-21-8-6-5-7-9-21/h10-17,21,25H,5-9H2,1-4H3,(H,30,32)
InChIKeyYAINFSJDOSFVMH-UHFFFAOYSA-N
MW507.66 g/mol
LogP5.61
Rot. Bonds8

About N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 3215427) has the molecular formula C28H33N3O4S and a molecular weight of 507.66 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID3215427
Molecular FormulaC28H33N3O4S
Molecular Weight507.66 g/mol
Exact Mass507.22
IUPAC NameN-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2sc(C)nc2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H33N3O4S/c1-18-26(36-19(2)29-18)28(33)31(22-12-16-24(35-4)17-13-22)25(20-10-14-23(34-3)15-11-20)27(32)30-21-8-6-5-7-9-21/h10-17,21,25H,5-9H2,1-4H3,(H,30,32)
InChIKeyYAINFSJDOSFVMH-UHFFFAOYSA-N
XLogP5.61
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.66
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide 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 N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 3215427) is N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2sc(C)nc2C)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is YAINFSJDOSFVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4S/c1-18-26(36-19(2)29-18)28(33)31(22-12-16-24(35-4)17-13-22)25(20-10-14-23(34-3)15-11-20)27(32)30-21-8-6-5-7-9-21/h10-17,21,25H,5-9H2,1-4H3,(H,30,32).
What are the key properties of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 507.66 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3215427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).