4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide

C31H38N2O4S — CID 135329564

IUPAC4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4c[nH]c(=O)s4)c3)CC2)cc1C
InChIInChI=1S/C31H38N2O4S/c1-20-16-24(12-15-28(20)37-2)22-8-6-21(7-9-22)19-33(30(35)23-10-13-27(34)14-11-23)26-5-3-4-25(17-26)29-18-32-31(36)38-29/h3-5,12,15-18,21-23,27,34H,6-11,13-14,19H2,1-2H3,(H,32,36)
InChIKeyJQLIWAZDOKAUHR-UHFFFAOYSA-N
MW534.72 g/mol
LogP6.28
Rot. Bonds7

About 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide

4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 135329564) has the molecular formula C31H38N2O4S and a molecular weight of 534.72 g/mol. Its IUPAC name is 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID135329564
Molecular FormulaC31H38N2O4S
Molecular Weight534.72 g/mol
Exact Mass534.26
IUPAC Name4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4c[nH]c(=O)s4)c3)CC2)cc1C
InChIInChI=1S/C31H38N2O4S/c1-20-16-24(12-15-28(20)37-2)22-8-6-21(7-9-22)19-33(30(35)23-10-13-27(34)14-11-23)26-5-3-4-25(17-26)29-18-32-31(36)38-29/h3-5,12,15-18,21-23,27,34H,6-11,13-14,19H2,1-2H3,(H,32,36)
InChIKeyJQLIWAZDOKAUHR-UHFFFAOYSA-N
XLogP6.28
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.72
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(Z)-3-amino-2-[3-[[4-[(2,2-difluoro-3-hydroxypropyl)carbamoyloxy]cyclohexanecarbonyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]amino]phenyl]prop-2-enylidene]-propan-2-ylazanium
CID 153550014
3-[3-(dimethylamino)propyl]-N-[4-(4-hydroxycyclohexyl)phenyl]-4-methoxybenzamide
CID 44212226
[4-[[3-[(Z)-1-amino-3-propan-2-yliminoprop-1-en-2-yl]phenyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] N-(2,2-difluoro-3-hydroxypropyl)carbamate
CID 153550015
3-benzyl-7-(2-methoxyphenyl)-2-oxo-N-phenyl-3,5,6,7-tetrahydro-2H-thiopyrano[2,3-d][1,3]thiazole-6-carboxamide
CID 17723226
N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3-methylbenzamide
CID 67088059
N-[2-[cyclohexyl(hydroxy)methyl]-1-oxoisoquinolin-5-yl]-4-methoxy-3,5-dimethylbenzamide
CID 67088107
4-hydroxy-N-[3-(3-methoxyazetidin-1-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 126697321
4-hydroxy-N-[3-[3-(methoxymethyl)azetidin-1-yl]phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 126716914
4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(3-methoxypyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 126716915
4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]cyclohexane-1-carboxamide
CID 126716916
Methyl 3-[3-[(4-hydroxycyclohexanecarbonyl)-[[4-[(3-methoxyphenyl)methyl]-2-methylphenyl]methyl]amino]phenyl]propanoate
CID 126717303
4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 135330469

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide (CID 135329564) is 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(O)CC3)c3cccc(-c4c[nH]c(=O)s4)c3)CC2)cc1C.
What is the InChIKey of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is JQLIWAZDOKAUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O4S/c1-20-16-24(12-15-28(20)37-2)22-8-6-21(7-9-22)19-33(30(35)23-10-13-27(34)14-11-23)26-5-3-4-25(17-26)29-18-32-31(36)38-29/h3-5,12,15-18,21-23,27,34H,6-11,13-14,19H2,1-2H3,(H,32,36).
What are the key properties of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide?
4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 534.72 g/mol, XLogP of 6.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-N-[3-(2-oxo-3H-1,3-thiazol-5-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135329564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).