N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide

C17H18FNOS — CID 107022704

IUPACN-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(F)c(S)c2)cc1
InChIInChI=1S/C17H18FNOS/c1-2-3-4-12-5-8-14(9-6-12)19-17(20)13-7-10-15(18)16(21)11-13/h5-11,21H,2-4H2,1H3,(H,19,20)
InChIKeyUKADGWSKCUXLLD-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.71
Rot. Bonds5

About N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide

N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide (PubChem CID 107022704) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide
PubChem CID107022704
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(F)c(S)c2)cc1
InChIInChI=1S/C17H18FNOS/c1-2-3-4-12-5-8-14(9-6-12)19-17(20)13-7-10-15(18)16(21)11-13/h5-11,21H,2-4H2,1H3,(H,19,20)
InChIKeyUKADGWSKCUXLLD-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.71
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-fluoropyridine-4-carboxamide
CID 61294537
5-[(4-butylbenzoyl)amino]-2-fluorobenzenesulfonic acid
CID 139946902
N-(4-butylphenyl)-4-hydroxy-3-methylbenzamide
CID 107676610
4-fluoro-3-nitro-N-(4-propylphenyl)benzamide
CID 8732756
N-(4-butylphenyl)-2,4-difluorobenzamide
CID 8961049
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-(4-butylphenyl)-2-sulfanylbenzamide
CID 107022706
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
N-(4-butylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26268853
N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33163993
2-fluoro-5-[(4-hexylbenzoyl)amino]benzenesulfonic acid
CID 139946874
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide?
The IUPAC name of N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide (CID 107022704) is N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide.
What is the SMILES notation for N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide?
The canonical SMILES for N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide is CCCCc1ccc(NC(=O)c2ccc(F)c(S)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide?
The InChIKey is UKADGWSKCUXLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-2-3-4-12-5-8-14(9-6-12)19-17(20)13-7-10-15(18)16(21)11-13/h5-11,21H,2-4H2,1H3,(H,19,20).
What are the key properties of N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide?
N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide has a molecular weight of 303.40 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide is sourced from PubChem (CID 107022704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).