N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide

C24H29N3O3S — CID 4948735

IUPACN-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide
SMILESCCCOc1ccccc1C(=O)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H29N3O3S/c1-2-16-30-21-15-9-7-13-19(21)23(29)27-24(31)26-20-14-8-6-12-18(20)22(28)25-17-10-4-3-5-11-17/h6-9,12-15,17H,2-5,10-11,16H2,1H3,(H,25,28)(H2,26,27,29,31)
InChIKeyGTFWMIHSGQEETF-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.66
Rot. Bonds7

About N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide

N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide (PubChem CID 4948735) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide
PubChem CID4948735
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide
SMILESCCCOc1ccccc1C(=O)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H29N3O3S/c1-2-16-30-21-15-9-7-13-19(21)23(29)27-24(31)26-20-14-8-6-12-18(20)22(28)25-17-10-4-3-5-11-17/h6-9,12-15,17H,2-5,10-11,16H2,1H3,(H,25,28)(H2,26,27,29,31)
InChIKeyGTFWMIHSGQEETF-UHFFFAOYSA-N
XLogP4.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-propoxybenzamide
CID 17352057
N-cyclohexyl-2-[[2-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 19628457
5-bromo-2-butoxy-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17350455
2-chloro-N-cyclohexyl-5-[(2-propoxybenzoyl)carbamothioylamino]benzamide
CID 17188749
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-propoxybenzamide
CID 4948823
N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-pentoxybenzamide
CID 28587927
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381
N-(oxolan-2-ylmethyl)-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide
CID 4948794
2-(acetylcarbamothioylamino)-N-cyclohexylbenzamide
CID 1226733
N-(cyclohexylcarbamothioyl)-2-(2-ethoxyethoxy)benzamide
CID 17123003
N-cyclohexyl-2-[(4-hexoxybenzoyl)carbamothioylamino]benzamide
CID 4934066
N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 28587947

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide?
The IUPAC name of N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide (CID 4948735) is N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide is CCCOc1ccccc1C(=O)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide?
The InChIKey is GTFWMIHSGQEETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-2-16-30-21-15-9-7-13-19(21)23(29)27-24(31)26-20-14-8-6-12-18(20)22(28)25-17-10-4-3-5-11-17/h6-9,12-15,17H,2-5,10-11,16H2,1H3,(H,25,28)(H2,26,27,29,31).
What are the key properties of N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide?
N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide has a molecular weight of 439.58 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide is sourced from PubChem (CID 4948735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).