N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide

C21H29N3O2S — CID 54786593

IUPACN-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide
SMILESO=C(CC1CCCC1)NC(=S)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H29N3O2S/c25-19(14-15-6-4-5-7-15)24-21(27)23-18-12-10-16(11-13-18)20(26)22-17-8-2-1-3-9-17/h10-13,15,17H,1-9,14H2,(H,22,26)(H2,23,24,25,27)
InChIKeyJUCRCSLTSZHHBA-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.14
Rot. Bonds5

About N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide

N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide (PubChem CID 54786593) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide
PubChem CID54786593
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide
SMILESO=C(CC1CCCC1)NC(=S)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H29N3O2S/c25-19(14-15-6-4-5-7-15)24-21(27)23-18-12-10-16(11-13-18)20(26)22-17-8-2-1-3-9-17/h10-13,15,17H,1-9,14H2,(H,22,26)(H2,23,24,25,27)
InChIKeyJUCRCSLTSZHHBA-UHFFFAOYSA-N
XLogP4.14
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 54786631
4-(acetylcarbamothioylamino)-N-cyclohexylbenzamide
CID 28587900
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide
CID 54786669
N-butan-2-yl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide
CID 54786736
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
3-chloro-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 28587912
N-cyclohexyl-4-[(4-heptoxybenzoyl)carbamothioylamino]benzamide
CID 43878562
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-[4-[[(2-cyclopentylacetyl)carbamothioylamino]carbamoyl]phenyl]-3-methylbutanamide
CID 54786933
N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 28587947

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide?
The IUPAC name of N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide (CID 54786593) is N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide is O=C(CC1CCCC1)NC(=S)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide?
The InChIKey is JUCRCSLTSZHHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c25-19(14-15-6-4-5-7-15)24-21(27)23-18-12-10-16(11-13-18)20(26)22-17-8-2-1-3-9-17/h10-13,15,17H,1-9,14H2,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide?
N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide has a molecular weight of 387.55 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide is sourced from PubChem (CID 54786593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).