N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

C18H20Cl2N2O3S — CID 35806370

IUPACN-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12-3-4-13(2)17(9-12)26(24,25)22-8-7-18(23)21-11-14-5-6-15(19)10-16(14)20/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyLRNRYZAWIADKBX-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.60
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 35806370) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
PubChem CID35806370
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12-3-4-13(2)17(9-12)26(24,25)22-8-7-18(23)21-11-14-5-6-15(19)10-16(14)20/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyLRNRYZAWIADKBX-UHFFFAOYSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 7478439
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
CID 24634429
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 7478808
N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415166
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 27858823
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126413823
N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide
CID 2712591
N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 55734058

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (CID 35806370) is N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is LRNRYZAWIADKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-12-3-4-13(2)17(9-12)26(24,25)22-8-7-18(23)21-11-14-5-6-15(19)10-16(14)20/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,21,23).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 415.34 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 35806370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).