N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide

C24H25N3O3S — CID 86834806

IUPACN-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C24H25N3O3S/c28-23(26-19-4-2-1-3-5-19)17-6-10-20(11-7-17)27-24(29)18-8-12-22(13-9-18)30-14-21-15-31-16-25-21/h6-13,15-16,19H,1-5,14H2,(H,26,28)(H,27,29)
InChIKeyNDXLCJKYELMHOZ-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.04
Rot. Bonds7

About N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide

N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide (PubChem CID 86834806) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
PubChem CID86834806
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C24H25N3O3S/c28-23(26-19-4-2-1-3-5-19)17-6-10-20(11-7-17)27-24(29)18-8-12-22(13-9-18)30-14-21-15-31-16-25-21/h6-13,15-16,19H,1-5,14H2,(H,26,28)(H,27,29)
InChIKeyNDXLCJKYELMHOZ-UHFFFAOYSA-N
XLogP5.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 26738355
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 9453652
N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 8926941
N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24514926
N-[4-(cyclohexylcarbamoyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
CID 46332619
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110035
N-cyclohexyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094282
N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-cyclohexyl-4-propoxybenzamide
CID 4938429

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide (CID 86834806) is N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide is O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide?
The InChIKey is NDXLCJKYELMHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-23(26-19-4-2-1-3-5-19)17-6-10-20(11-7-17)27-24(29)18-8-12-22(13-9-18)30-14-21-15-31-16-25-21/h6-13,15-16,19H,1-5,14H2,(H,26,28)(H,27,29).
What are the key properties of N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide?
N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide has a molecular weight of 435.55 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 86834806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).