argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide

C17H19ArN3OS — CID 170549225

IUPACargon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide
SMILESCCCCc1ccnc(NC(=S)NC(=O)c2ccccc2)c1.[Ar]
InChIInChI=1S/C17H19N3OS.Ar/c1-2-3-7-13-10-11-18-15(12-13)19-17(22)20-16(21)14-8-5-4-6-9-14;/h4-6,8-12H,2-3,7H2,1H3,(H2,18,19,20,21,22);
InChIKeyBVBMEIWOFJGRLS-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.55
Rot. Bonds5

About argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide

argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide (PubChem CID 170549225) has the molecular formula C17H19ArN3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide.

Molecular Properties

Compound Nameargon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide
PubChem CID170549225
Molecular FormulaC17H19ArN3OS
Molecular Weight353.37 g/mol
Exact Mass353.09
IUPAC Nameargon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide
SMILESCCCCc1ccnc(NC(=S)NC(=O)c2ccccc2)c1.[Ar]
InChIInChI=1S/C17H19N3OS.Ar/c1-2-3-7-13-10-11-18-15(12-13)19-17(22)20-16(21)14-8-5-4-6-9-14;/h4-6,8-12H,2-3,7H2,1H3,(H2,18,19,20,21,22);
InChIKeyBVBMEIWOFJGRLS-UHFFFAOYSA-N
XLogP3.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride
CID 172619074
N-[(2-butyl-4-chlorophenyl)carbamothioyl]benzamide
CID 21314057
N-[(2-chloro-4-propylphenyl)carbamothioyl]benzamide
CID 21314050
N-[[4-(3-chloro-4-methoxyphenyl)-2-pyridinyl]carbamothioyl]benzamide
CID 135284498
N-[(4-butylphenyl)carbamothioyl]-3-fluorobenzamide
CID 2279604
3-chloro-N-[(4-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 881307
N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-chlorobenzamide
CID 5188777
N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbenzamide
CID 5175386
N-[(4-benzamidophenyl)carbamothioyl]-3-butoxybenzamide
CID 17235751
4-phenylmethoxy-N-(pyridin-2-ylcarbamothioyl)benzamide
CID 17099472
N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-phenylmethoxybenzamide
CID 17314469
2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 67153857

Frequently Asked Questions

What is the IUPAC name of argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide?
The IUPAC name of argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide (CID 170549225) is argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide.
What is the SMILES notation for argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide?
The canonical SMILES for argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide is CCCCc1ccnc(NC(=S)NC(=O)c2ccccc2)c1.[Ar].
What is the InChIKey of argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide?
The InChIKey is BVBMEIWOFJGRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS.Ar/c1-2-3-7-13-10-11-18-15(12-13)19-17(22)20-16(21)14-8-5-4-6-9-14;/h4-6,8-12H,2-3,7H2,1H3,(H2,18,19,20,21,22);.
What are the key properties of argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide?
argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide has a molecular weight of 353.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for argon;N-[(4-butyl-2-pyridinyl)carbamothioyl]benzamide is sourced from PubChem (CID 170549225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).