N-(4-butylphenyl)-2-sulfanylbenzamide

C17H19NOS — CID 107022706

IUPACN-(4-butylphenyl)-2-sulfanylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccccc2S)cc1
InChIInChI=1S/C17H19NOS/c1-2-3-6-13-9-11-14(12-10-13)18-17(19)15-7-4-5-8-16(15)20/h4-5,7-12,20H,2-3,6H2,1H3,(H,18,19)
InChIKeyVSLVCRWVCPUBCC-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.57
Rot. Bonds5

About N-(4-butylphenyl)-2-sulfanylbenzamide

N-(4-butylphenyl)-2-sulfanylbenzamide (PubChem CID 107022706) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-sulfanylbenzamide
PubChem CID107022706
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(4-butylphenyl)-2-sulfanylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccccc2S)cc1
InChIInChI=1S/C17H19NOS/c1-2-3-6-13-9-11-14(12-10-13)18-17(19)15-7-4-5-8-16(15)20/h4-5,7-12,20H,2-3,6H2,1H3,(H,18,19)
InChIKeyVSLVCRWVCPUBCC-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-butylphenyl)-2-methylsulfanylbenzamide
CID 2228351
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642
N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107022704
2-butyl-N-phenylbenzamide
CID 3695058
N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide
CID 113220462
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
N-(4-butylphenyl)-2,4-difluorobenzamide
CID 8961049
N-(4-butylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650691
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-sulfanylbenzamide?
The IUPAC name of N-(4-butylphenyl)-2-sulfanylbenzamide (CID 107022706) is N-(4-butylphenyl)-2-sulfanylbenzamide.
What is the SMILES notation for N-(4-butylphenyl)-2-sulfanylbenzamide?
The canonical SMILES for N-(4-butylphenyl)-2-sulfanylbenzamide is CCCCc1ccc(NC(=O)c2ccccc2S)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-sulfanylbenzamide?
The InChIKey is VSLVCRWVCPUBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-3-6-13-9-11-14(12-10-13)18-17(19)15-7-4-5-8-16(15)20/h4-5,7-12,20H,2-3,6H2,1H3,(H,18,19).
What are the key properties of N-(4-butylphenyl)-2-sulfanylbenzamide?
N-(4-butylphenyl)-2-sulfanylbenzamide has a molecular weight of 285.41 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107022706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).