2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide

C25H22N2O3S2 — CID 23095708

IUPAC2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide
SMILESCC(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H22N2O3S2/c1-18(25(28)26-22-12-11-19-7-5-6-8-20(19)17-22)31-23-15-13-21(14-16-23)27-32(29,30)24-9-3-2-4-10-24/h2-18,27H,1H3,(H,26,28)
InChIKeyWHMDVPUXXZGOAU-UHFFFAOYSA-N
MW462.60 g/mol
LogP5.76
Rot. Bonds7

About 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide (PubChem CID 23095708) has the molecular formula C25H22N2O3S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide
PubChem CID23095708
Molecular FormulaC25H22N2O3S2
Molecular Weight462.60 g/mol
Exact Mass462.11
IUPAC Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide
SMILESCC(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H22N2O3S2/c1-18(25(28)26-22-12-11-19-7-5-6-8-20(19)17-22)31-23-15-13-21(14-16-23)27-32(29,30)24-9-3-2-4-10-24/h2-18,27H,1H3,(H,26,28)
InChIKeyWHMDVPUXXZGOAU-UHFFFAOYSA-N
XLogP5.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide
CID 22776010
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 21168898
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 23098353
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 21167345
(2S)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 41326927
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
CID 132673976
2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 46762832
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanamide
CID 22781714
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 21170325
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 25045380
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 21170701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide (CID 23095708) is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide is CC(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide?
The InChIKey is WHMDVPUXXZGOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S2/c1-18(25(28)26-22-12-11-19-7-5-6-8-20(19)17-22)31-23-15-13-21(14-16-23)27-32(29,30)24-9-3-2-4-10-24/h2-18,27H,1H3,(H,26,28).
What are the key properties of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide?
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide has a molecular weight of 462.60 g/mol, XLogP of 5.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 23095708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).