4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide

C31H30N2O2S — CID 142249348

IUPAC4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=Cc1cccc(CCc2nc(-c3ccc(NC(=O)c4ccc(C5CCCCC5)cc4)cc3)cs2)c1
InChIInChI=1S/C31H30N2O2S/c34-20-23-6-4-5-22(19-23)9-18-30-33-29(21-36-30)26-14-16-28(17-15-26)32-31(35)27-12-10-25(11-13-27)24-7-2-1-3-8-24/h4-6,10-17,19-21,24H,1-3,7-9,18H2,(H,32,35)
InChIKeyQVEYEESKSRRIGO-UHFFFAOYSA-N
MW494.66 g/mol
LogP7.71
Rot. Bonds8

About 4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide

4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 142249348) has the molecular formula C31H30N2O2S and a molecular weight of 494.66 g/mol. Its IUPAC name is 4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID142249348
Molecular FormulaC31H30N2O2S
Molecular Weight494.66 g/mol
Exact Mass494.20
IUPAC Name4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=Cc1cccc(CCc2nc(-c3ccc(NC(=O)c4ccc(C5CCCCC5)cc4)cc3)cs2)c1
InChIInChI=1S/C31H30N2O2S/c34-20-23-6-4-5-22(19-23)9-18-30-33-29(21-36-30)26-14-16-28(17-15-26)32-31(35)27-12-10-25(11-13-27)24-7-2-1-3-8-24/h4-6,10-17,19-21,24H,1-3,7-9,18H2,(H,32,35)
InChIKeyQVEYEESKSRRIGO-UHFFFAOYSA-N
XLogP7.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.66
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-[4-[(4-cyclohexylbenzoyl)amino]phenyl]-1,3-thiazol-2-yl]ethyl]benzoic acid
CID 23023955
4-cyclohexyl-N-[4-[2-[(4-formylphenyl)methyl-propan-2-ylamino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 142249323
N-(4-cyclohexylphenyl)benzamide
CID 10333838
N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 2498919
3-(3-acetylphenyl)-1-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-1-propylurea
CID 22433484
1-[4-[[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564297
N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 35619010
4-N,4-N-dicyclohexyl-1-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide
CID 4531775
1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide
CID 22501855
N-(4-chlorophenyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide
CID 53037722
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
4-cyclopentyl-N-pyridin-4-ylbenzamide
CID 110464379

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide (CID 142249348) is 4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide is O=Cc1cccc(CCc2nc(-c3ccc(NC(=O)c4ccc(C5CCCCC5)cc4)cc3)cs2)c1.
What is the InChIKey of 4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is QVEYEESKSRRIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2S/c34-20-23-6-4-5-22(19-23)9-18-30-33-29(21-36-30)26-14-16-28(17-15-26)32-31(35)27-12-10-25(11-13-27)24-7-2-1-3-8-24/h4-6,10-17,19-21,24H,1-3,7-9,18H2,(H,32,35).
What are the key properties of 4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide?
4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 494.66 g/mol, XLogP of 7.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[4-[2-[2-(3-formylphenyl)ethyl]-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 142249348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).