N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

C22H23FN2O3S2 — CID 26635601

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCCSc1ccc(F)cc1
InChIInChI=1S/C22H23FN2O3S2/c23-19-7-9-20(10-8-19)29-15-3-13-24-22(26)12-14-25-30(27,28)21-11-6-17-4-1-2-5-18(17)16-21/h1-2,4-11,16,25H,3,12-15H2,(H,24,26)
InChIKeyFRGXTYXYKQHDLB-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.95
Rot. Bonds10

About N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 26635601) has the molecular formula C22H23FN2O3S2 and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID26635601
Molecular FormulaC22H23FN2O3S2
Molecular Weight446.57 g/mol
Exact Mass446.11
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCCSc1ccc(F)cc1
InChIInChI=1S/C22H23FN2O3S2/c23-19-7-9-20(10-8-19)29-15-3-13-24-22(26)12-14-25-30(27,28)21-11-6-17-4-1-2-5-18(17)16-21/h1-2,4-11,16,25H,3,12-15H2,(H,24,26)
InChIKeyFRGXTYXYKQHDLB-UHFFFAOYSA-N
XLogP3.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
CID 24818160
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 24549470
N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9179638
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
3-(naphthalen-2-ylsulfonylamino)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
CID 55647229
N-[2-(2-methylphenyl)ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 17486148
3-fluoro-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzenesulfonamide
CID 39632696
1-(4-fluorophenyl)ethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 18281091
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 26635601) is N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)NCCCSc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is FRGXTYXYKQHDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S2/c23-19-7-9-20(10-8-19)29-15-3-13-24-22(26)12-14-25-30(27,28)21-11-6-17-4-1-2-5-18(17)16-21/h1-2,4-11,16,25H,3,12-15H2,(H,24,26).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 446.57 g/mol, XLogP of 3.95, 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]-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 26635601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).