N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C19H22Cl2N2O3S — CID 43890197

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)C(=O)NCc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C19H22Cl2N2O3S/c1-11-7-12(2)18(13(3)8-11)27(25,26)23-14(4)19(24)22-10-15-5-6-16(20)9-17(15)21/h5-9,14,23H,10H2,1-4H3,(H,22,24)
InChIKeyGQAAXZMZPSZGJV-UHFFFAOYSA-N
MW429.37 g/mol
LogP3.90
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 43890197) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID43890197
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)C(=O)NCc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C19H22Cl2N2O3S/c1-11-7-12(2)18(13(3)8-11)27(25,26)23-14(4)19(24)22-10-15-5-6-16(20)9-17(15)21/h5-9,14,23H,10H2,1-4H3,(H,22,24)
InChIKeyGQAAXZMZPSZGJV-UHFFFAOYSA-N
XLogP3.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 27646908
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890288
N-(3-chlorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890225
N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890199
N-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890192
N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890284
N-(2-ethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890217
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7927947
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
CID 9173663
2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 4264169
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
CID 2446682

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 43890197) is N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NC(C)C(=O)NCc2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is GQAAXZMZPSZGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-11-7-12(2)18(13(3)8-11)27(25,26)23-14(4)19(24)22-10-15-5-6-16(20)9-17(15)21/h5-9,14,23H,10H2,1-4H3,(H,22,24).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-[(2,4-dichlorophenyl)methyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 429.37 g/mol, XLogP of 3.90, 6 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]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43890197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).