4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide

C23H24N2O3S2 — CID 126414764

IUPAC4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCc1cccc(CSCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C23H24N2O3S2/c1-18-6-5-7-19(16-18)17-29-15-14-24-23(26)20-10-12-21(13-11-20)25-30(27,28)22-8-3-2-4-9-22/h2-13,16,25H,14-15,17H2,1H3,(H,24,26)
InChIKeyWYOKLVRZPKLNJQ-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.46
Rot. Bonds9

About 4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide

4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 126414764) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide
PubChem CID126414764
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC Name4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCc1cccc(CSCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C23H24N2O3S2/c1-18-6-5-7-19(16-18)17-29-15-14-24-23(26)20-10-12-21(13-11-20)25-30(27,28)22-8-3-2-4-9-22/h2-13,16,25H,14-15,17H2,1H3,(H,24,26)
InChIKeyWYOKLVRZPKLNJQ-UHFFFAOYSA-N
XLogP4.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.46
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

N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-phenylbenzamide
CID 126175616
4-(benzenesulfonamido)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 39548091
5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide
CID 30400846
4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 92679565
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126414861
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482229
N-(2-benzylsulfanylethyl)-3-(ethylsulfamoyl)benzamide
CID 32965738
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27824385
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 2288627
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126414743
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 18108738

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide (CID 126414764) is 4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide is Cc1cccc(CSCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is WYOKLVRZPKLNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-18-6-5-7-19(16-18)17-29-15-14-24-23(26)20-10-12-21(13-11-20)25-30(27,28)22-8-3-2-4-9-22/h2-13,16,25H,14-15,17H2,1H3,(H,24,26).
What are the key properties of 4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide?
4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide has a molecular weight of 440.59 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 126414764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).