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

C28H33N3O3S — CID 3215408

IUPACN-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2sc(C)nc2C)c2ccccc2C)cc1
InChIInChI=1S/C28H33N3O3S/c1-18-10-8-9-13-24(18)31(28(33)26-19(2)29-20(3)35-26)25(21-14-16-23(34-4)17-15-21)27(32)30-22-11-6-5-7-12-22/h8-10,13-17,22,25H,5-7,11-12H2,1-4H3,(H,30,32)
InChIKeyWDQOOMQENINOOH-UHFFFAOYSA-N
MW491.66 g/mol
LogP5.91
Rot. Bonds7

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

N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 3215408) has the molecular formula C28H33N3O3S and a molecular weight of 491.66 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID3215408
Molecular FormulaC28H33N3O3S
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC NameN-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2sc(C)nc2C)c2ccccc2C)cc1
InChIInChI=1S/C28H33N3O3S/c1-18-10-8-9-13-24(18)31(28(33)26-19(2)29-20(3)35-26)25(21-14-16-23(34-4)17-15-21)27(32)30-22-11-6-5-7-12-22/h8-10,13-17,22,25H,5-7,11-12H2,1-4H3,(H,30,32)
InChIKeyWDQOOMQENINOOH-UHFFFAOYSA-N
XLogP5.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.66
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 10094283
N-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42618045
2,4-Dimethyl-thiazole-5-carboxylic acid {[(furan-2-ylmethyl)-carbamoyl]-phenyl-methyl}-p-tolyl-amide
CID 3215380
2,4-Dimethyl-thiazole-5-carboxylic acid (4-acetyl-phenyl)-[cyclohexylcarbamoyl-(4-methoxy-phenyl)-methyl]-amide
CID 3215410
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3215427
N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-methoxybenzamide
CID 7518131
5-benzyl-N-(2-(4-ethoxybenzamido)ethyl)-4-phenylthiazole-2-carboxamide
CID 46885246
3-[(3S)-3-[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]piperidin-1-yl]benzoic acid
CID 57401312
N-hydroxy-5-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 70686159
N-[4-methoxy-2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155513763
N-[4-methoxy-2-[(4-methoxyphenyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155526963
N-[2-[(4-ethynylphenyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155546116

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide (CID 3215408) is N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide is COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2sc(C)nc2C)c2ccccc2C)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WDQOOMQENINOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3S/c1-18-10-8-9-13-24(18)31(28(33)26-19(2)29-20(3)35-26)25(21-14-16-23(34-4)17-15-21)27(32)30-22-11-6-5-7-12-22/h8-10,13-17,22,25H,5-7,11-12H2,1-4H3,(H,30,32).
What are the key properties of N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide?
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 491.66 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2,4-dimethyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3215408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).