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

C18H25N3O3S — CID 54786631

IUPAC4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(=S)NC(=O)CC2CCCC2)cc1
InChIInChI=1S/C18H25N3O3S/c1-24-11-10-19-17(23)14-6-8-15(9-7-14)20-18(25)21-16(22)12-13-4-2-3-5-13/h6-9,13H,2-5,10-12H2,1H3,(H,19,23)(H2,20,21,22,25)
InChIKeyBDTPVOZGGFUUPO-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.46
Rot. Bonds7

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

4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 54786631) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
PubChem CID54786631
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(=S)NC(=O)CC2CCCC2)cc1
InChIInChI=1S/C18H25N3O3S/c1-24-11-10-19-17(23)14-6-8-15(9-7-14)20-18(25)21-16(22)12-13-4-2-3-5-13/h6-9,13H,2-5,10-12H2,1H3,(H,19,23)(H2,20,21,22,25)
InChIKeyBDTPVOZGGFUUPO-UHFFFAOYSA-N
XLogP2.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-cyclohexyl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide
CID 54786593
4-(3-cyclohexylpropanoylcarbamothioylamino)-N-(3-methoxypropyl)benzamide
CID 17205331
N-butan-2-yl-4-[(2-cyclopentylacetyl)carbamothioylamino]benzamide
CID 54786736
methyl 4-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17218528
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide
CID 54786669
2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]acetamide
CID 54786775
N-[4-[[(2-cyclopentylacetyl)carbamothioylamino]carbamoyl]phenyl]-3-methylbutanamide
CID 54786933
4-[(4-butoxybenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17218467
3-bromo-N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 54791485
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
4-tert-butyl-N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]benzamide
CID 17235258
N-(3-methoxypropyl)-4-(tetradecanoylcarbamothioylamino)benzamide
CID 54791193

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide (CID 54786631) is 4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(NC(=S)NC(=O)CC2CCCC2)cc1.
What is the InChIKey of 4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is BDTPVOZGGFUUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-24-11-10-19-17(23)14-6-8-15(9-7-14)20-18(25)21-16(22)12-13-4-2-3-5-13/h6-9,13H,2-5,10-12H2,1H3,(H,19,23)(H2,20,21,22,25).
What are the key properties of 4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide?
4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 363.48 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 54786631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).