N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide

C19H21FN2O3S2 — CID 26635661

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3S2/c1-2-12-22-27(24,25)18-10-4-15(5-11-18)19(23)21-13-3-14-26-17-8-6-16(20)7-9-17/h2,4-11,22H,1,3,12-14H2,(H,21,23)
InChIKeyVTDXNJCDDDZFSX-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.20
Rot. Bonds10

About N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide

N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 26635661) has the molecular formula C19H21FN2O3S2 and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID26635661
Molecular FormulaC19H21FN2O3S2
Molecular Weight408.52 g/mol
Exact Mass408.10
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3S2/c1-2-12-22-27(24,25)18-10-4-15(5-11-18)19(23)21-13-3-14-26-17-8-6-16(20)7-9-17/h2,4-11,22H,1,3,12-14H2,(H,21,23)
InChIKeyVTDXNJCDDDZFSX-UHFFFAOYSA-N
XLogP3.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 38570641
4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide
CID 30860863
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058444
3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide
CID 27802378
4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
CID 26444549
N-(3-butylsulfanylpropyl)-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 20968650
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55821516
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 25317177
4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide
CID 26635699
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
[2-(4-fluorophenyl)-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate
CID 7828416

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 26635661) is N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is VTDXNJCDDDZFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S2/c1-2-12-22-27(24,25)18-10-4-15(5-11-18)19(23)21-13-3-14-26-17-8-6-16(20)7-9-17/h2,4-11,22H,1,3,12-14H2,(H,21,23).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 26635661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).