2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide

C20H24Cl2N2O3S — CID 132672824

IUPAC2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
SMILESCc1ccc(CCCNC(=O)C(C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24Cl2N2O3S/c1-14-6-8-16(9-7-14)5-4-10-23-20(25)15(2)24(28(3,26)27)19-12-17(21)11-18(22)13-19/h6-9,11-13,15H,4-5,10H2,1-3H3,(H,23,25)
InChIKeyTUSWARFEUWFJDF-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.21
Rot. Bonds8

About 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide

2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide (PubChem CID 132672824) has the molecular formula C20H24Cl2N2O3S and a molecular weight of 443.40 g/mol. Its IUPAC name is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
PubChem CID132672824
Molecular FormulaC20H24Cl2N2O3S
Molecular Weight443.40 g/mol
Exact Mass442.09
IUPAC Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
SMILESCc1ccc(CCCNC(=O)C(C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H24Cl2N2O3S/c1-14-6-8-16(9-7-14)5-4-10-23-20(25)15(2)24(28(3,26)27)19-12-17(21)11-18(22)13-19/h6-9,11-13,15H,4-5,10H2,1-3H3,(H,23,25)
InChIKeyTUSWARFEUWFJDF-UHFFFAOYSA-N
XLogP4.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
CID 132661818
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]propanamide
CID 132664346
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]butanamide
CID 132667096
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132664806
N-[3-(4-methylphenyl)propyl]-2-(N-methylsulfonyl-3-nitroanilino)propanamide
CID 132666092
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 132669261
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 126413449
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 2962930
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 132664793
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 132672819
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 132671749
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
CID 132670161

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide (CID 132672824) is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide is Cc1ccc(CCCNC(=O)C(C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide?
The InChIKey is TUSWARFEUWFJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S/c1-14-6-8-16(9-7-14)5-4-10-23-20(25)15(2)24(28(3,26)27)19-12-17(21)11-18(22)13-19/h6-9,11-13,15H,4-5,10H2,1-3H3,(H,23,25).
What are the key properties of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide?
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide has a molecular weight of 443.40 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 132672824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).