3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide

C19H24N2O3S2 — CID 25163443

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCCCSc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-16-8-10-18(11-9-16)26(23,24)21-14-12-19(22)20-13-5-15-25-17-6-3-2-4-7-17/h2-4,6-11,21H,5,12-15H2,1H3,(H,20,22)
InChIKeyWYCZMZYMKPHZIA-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.96
Rot. Bonds10

About 3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide

3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide (PubChem CID 25163443) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide
PubChem CID25163443
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCCCSc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-16-8-10-18(11-9-16)26(23,24)21-14-12-19(22)20-13-5-15-25-17-6-3-2-4-7-17/h2-4,6-11,21H,5,12-15H2,1H3,(H,20,22)
InChIKeyWYCZMZYMKPHZIA-UHFFFAOYSA-N
XLogP2.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.96
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-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
N-[2-(4-sulfamoylphenyl)ethyl]-3-[(2-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl)disulfanyl]propanamide
CID 16082757
N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide
CID 23645368
1-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 4110790
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
N~1~-Cyclohexyl-1-[(4-methylphenyl)sulfonyl]-1-cyclopropanecarboxamide
CID 3434568
N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 759094
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090
N-benzyl-2-tosylacetamide
CID 6460081
(S)-2-Amino-N-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)propanamide
CID 10384666
N-benzyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759101
N-[2-[(2-methylphenyl)methylthio]ethyl]-3-[(4-methylphenyl)thio]propanamide
CID 2205503

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide (CID 25163443) is 3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCCCSc2ccccc2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide?
The InChIKey is WYCZMZYMKPHZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-16-8-10-18(11-9-16)26(23,24)21-14-12-19(22)20-13-5-15-25-17-6-3-2-4-7-17/h2-4,6-11,21H,5,12-15H2,1H3,(H,20,22).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide?
3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide has a molecular weight of 392.55 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide is sourced from PubChem (CID 25163443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).