4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide

C17H17FN2O2S — CID 30860863

IUPAC4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2S/c18-14-6-8-15(9-7-14)23-11-1-10-20-17(22)13-4-2-12(3-5-13)16(19)21/h2-9H,1,10-11H2,(H2,19,21)(H,20,22)
InChIKeyYOBBPMHNNLYJKL-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.84
Rot. Bonds7

About 4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide

4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide (PubChem CID 30860863) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide
PubChem CID30860863
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2S/c18-14-6-8-15(9-7-14)23-11-1-10-20-17(22)13-4-2-12(3-5-13)16(19)21/h2-9H,1,10-11H2,(H2,19,21)(H,20,22)
InChIKeyYOBBPMHNNLYJKL-UHFFFAOYSA-N
XLogP2.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55821516
3-(difluoromethoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxybenzamide
CID 55741143
4-[[[ethylamino-[3-(4-fluorophenyl)sulfanylpropylamino]methylidene]amino]methyl]benzamide
CID 111310932
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]-3-sulfamoylbenzamide
CID 26635699
3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide
CID 46410167
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26635661
2-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide;hydrochloride
CID 119268290
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
CID 26635822
N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide
CID 67740105
3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide
CID 27802378

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide (CID 30860863) is 4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)NCCCSc2ccc(F)cc2)cc1.
What is the InChIKey of 4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide?
The InChIKey is YOBBPMHNNLYJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c18-14-6-8-15(9-7-14)23-11-1-10-20-17(22)13-4-2-12(3-5-13)16(19)21/h2-9H,1,10-11H2,(H2,19,21)(H,20,22).
What are the key properties of 4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide?
4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 30860863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).