2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide

C20H18Cl2N2O3S — CID 132671168

IUPAC2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc2ccccc12)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H18Cl2N2O3S/c1-13(24(28(2,26)27)17-11-15(21)10-16(22)12-17)20(25)23-19-9-5-7-14-6-3-4-8-18(14)19/h3-13H,1-2H3,(H,23,25)
InChIKeyPCZQSPRKEXFRIW-UHFFFAOYSA-N
MW437.35 g/mol
LogP4.94
Rot. Bonds5

About 2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide

2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide (PubChem CID 132671168) has the molecular formula C20H18Cl2N2O3S and a molecular weight of 437.35 g/mol. Its IUPAC name is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
PubChem CID132671168
Molecular FormulaC20H18Cl2N2O3S
Molecular Weight437.35 g/mol
Exact Mass436.04
IUPAC Name2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc2ccccc12)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H18Cl2N2O3S/c1-13(24(28(2,26)27)17-11-15(21)10-16(22)12-17)20(25)23-19-9-5-7-14-6-3-4-8-18(14)19/h3-13H,1-2H3,(H,23,25)
InChIKeyPCZQSPRKEXFRIW-UHFFFAOYSA-N
XLogP4.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
CID 126384842
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132664806
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
N-(2-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666717
2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 2239247
N-(3-chloro-2-methylphenyl)-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 4311330
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 132669261
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
CID 99954361
2-(3-chloro-N-methylsulfonylanilino)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220477

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide (CID 132671168) is 2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide is CC(C(=O)Nc1cccc2ccccc12)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide?
The InChIKey is PCZQSPRKEXFRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3S/c1-13(24(28(2,26)27)17-11-15(21)10-16(22)12-17)20(25)23-19-9-5-7-14-6-3-4-8-18(14)19/h3-13H,1-2H3,(H,23,25).
What are the key properties of 2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide?
2-(3,5-dichloro-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide has a molecular weight of 437.35 g/mol, XLogP of 4.94, 5 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-naphthalen-1-ylpropanamide is sourced from PubChem (CID 132671168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).