N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide

C24H29N3O4S — CID 28587947

IUPACN-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H29N3O4S/c1-30-15-16-31-21-10-6-5-9-20(21)23(29)27-24(32)26-19-13-11-17(12-14-19)22(28)25-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15-16H2,1H3,(H,25,28)(H2,26,27,29,32)
InChIKeyHWELYWKZIBVCTG-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.90
Rot. Bonds8

About N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide

N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide (PubChem CID 28587947) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
PubChem CID28587947
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H29N3O4S/c1-30-15-16-31-21-10-6-5-9-20(21)23(29)27-24(32)26-19-13-11-17(12-14-19)22(28)25-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15-16H2,1H3,(H,25,28)(H2,26,27,29,32)
InChIKeyHWELYWKZIBVCTG-UHFFFAOYSA-N
XLogP3.90
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-pentoxybenzamide
CID 28587927
2-chloro-N-cyclohexyl-5-[(2-propoxybenzoyl)carbamothioylamino]benzamide
CID 17188749
N-[[4-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17231564
N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide
CID 17123003
N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide
CID 4948735
N-[(4-bromophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355891
N-[(4-chlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355885
propyl 4-[[2-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17355916
N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-2-propoxybenzamide
CID 4949391
4-(acetylcarbamothioylamino)-N-cyclohexylbenzamide
CID 28587900
N-cyclohexyl-4-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 28587936
N-cyclohexyl-2-[[2-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 19628457

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide (CID 28587947) is N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide is COCCOc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide?
The InChIKey is HWELYWKZIBVCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-30-15-16-31-21-10-6-5-9-20(21)23(29)27-24(32)26-19-13-11-17(12-14-19)22(28)25-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15-16H2,1H3,(H,25,28)(H2,26,27,29,32).
What are the key properties of N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide?
N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide has a molecular weight of 455.58 g/mol, XLogP of 3.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 28587947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).