N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide

C18H20Cl2N2O4S — CID 132669279

IUPACN-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1cc(Cl)cc(Cl)c1)N(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O4S/c1-4-17(18(23)21-14-9-12(19)8-13(20)10-14)22(27(3,24)25)15-6-5-7-16(11-15)26-2/h5-11,17H,4H2,1-3H3,(H,21,23)
InChIKeyXPQDGIYZHDJRJE-UHFFFAOYSA-N
MW431.34 g/mol
LogP4.19
Rot. Bonds7

About N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide

N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 132669279) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID132669279
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC NameN-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1cc(Cl)cc(Cl)c1)N(c1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O4S/c1-4-17(18(23)21-14-9-12(19)8-13(20)10-14)22(27(3,24)25)15-6-5-7-16(11-15)26-2/h5-11,17H,4H2,1-3H3,(H,21,23)
InChIKeyXPQDGIYZHDJRJE-UHFFFAOYSA-N
XLogP4.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide 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

N-(2-bromophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132672273
2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53282903
N-[3-(2-chlorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132671760
N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132660103
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229418
2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132662341
N-[1-(4-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132663188
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide
CID 132670026
N-(3-chlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)butanamide
CID 132664002
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide
CID 95118832
(2S)-N-(3,5-dichlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1095129
N-[3-(4-fluorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132666868

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide (CID 132669279) is N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide is CCC(C(=O)Nc1cc(Cl)cc(Cl)c1)N(c1cccc(OC)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is XPQDGIYZHDJRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-4-17(18(23)21-14-9-12(19)8-13(20)10-14)22(27(3,24)25)15-6-5-7-16(11-15)26-2/h5-11,17H,4H2,1-3H3,(H,21,23).
What are the key properties of N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide?
N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 431.34 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132669279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).