N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

C19H24N2O5S2 — CID 55734058

IUPACN-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O5S2/c1-15-8-9-16(2)18(14-15)28(25,26)21-11-10-19(22)20-12-13-27(23,24)17-6-4-3-5-7-17/h3-9,14,21H,10-13H2,1-2H3,(H,20,22)
InChIKeyXJOTZMYYCJQCFT-UHFFFAOYSA-N
MW424.54 g/mol
LogP1.56
Rot. Bonds9

About N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 55734058) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
PubChem CID55734058
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O5S2/c1-15-8-9-16(2)18(14-15)28(25,26)21-11-10-19(22)20-12-13-27(23,24)17-6-4-3-5-7-17/h3-9,14,21H,10-13H2,1-2H3,(H,20,22)
InChIKeyXJOTZMYYCJQCFT-UHFFFAOYSA-N
XLogP1.56
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639574
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 46587654
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 7478808
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
N-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 7478439
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 35509180
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 78768108
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 43001919
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (CID 55734058) is N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is XJOTZMYYCJQCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-15-8-9-16(2)18(14-15)28(25,26)21-11-10-19(22)20-12-13-27(23,24)17-6-4-3-5-7-17/h3-9,14,21H,10-13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 424.54 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55734058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).