N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide

C18H18Cl2N2O4S — CID 142628080

IUPACN-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide
SMILESCS(=O)(=O)NC(Cc1ccccc1)C(=O)NCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O4S/c1-27(25,26)22-16(9-12-5-3-2-4-6-12)18(24)21-11-17(23)14-8-7-13(19)10-15(14)20/h2-8,10,16,22H,9,11H2,1H3,(H,21,24)
InChIKeyMIERDKJUMYDGQT-UHFFFAOYSA-N
MW429.33 g/mol
LogP2.45
Rot. Bonds8

About N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide

N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide (PubChem CID 142628080) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide
PubChem CID142628080
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide
SMILESCS(=O)(=O)NC(Cc1ccccc1)C(=O)NCC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O4S/c1-27(25,26)22-16(9-12-5-3-2-4-6-12)18(24)21-11-17(23)14-8-7-13(19)10-15(14)20/h2-8,10,16,22H,9,11H2,1H3,(H,21,24)
InChIKeyMIERDKJUMYDGQT-UHFFFAOYSA-N
XLogP2.45
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-4-methylpentanamide
CID 142627826
N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide
CID 44572425
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 43890925
(2S)-2-[[(2S)-2-(3-chlorophenyl)-2-(methanesulfonamido)acetyl]amino]-N-[2-(cyanomethylamino)-2-oxoethyl]-3-phenylpropanamide
CID 118711628
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 7030623
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28542438
(2S)-2-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 69208285
chloromethyl (2S)-2-(methanesulfonamido)-3-phenylpropanoate
CID 174358903
(2R)-2-amino-3-phenylpropanoic acid;(2R)-2-(methanesulfonamido)-3-phenylpropanoic acid
CID 22867971
(2S)-N-[2-[(2-amino-2-sulfanylethyl)amino]-2-oxoethyl]-2-[[(2S)-2-(3-chlorophenyl)-2-(methanesulfonamido)acetyl]amino]-3-phenylpropanamide
CID 77232207
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
CID 94860896

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide (CID 142628080) is N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide is CS(=O)(=O)NC(Cc1ccccc1)C(=O)NCC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide?
The InChIKey is MIERDKJUMYDGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c1-27(25,26)22-16(9-12-5-3-2-4-6-12)18(24)21-11-17(23)14-8-7-13(19)10-15(14)20/h2-8,10,16,22H,9,11H2,1H3,(H,21,24).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide?
N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide has a molecular weight of 429.33 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-(methanesulfonamido)-3-phenylpropanamide is sourced from PubChem (CID 142628080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).