2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide

C19H22Cl2N2O3S — CID 132668645

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1ccccc1C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O3S/c1-4-17(19(24)22-12-14-8-6-5-7-13(14)2)23(27(3,25)26)18-11-15(20)9-10-16(18)21/h5-11,17H,4,12H2,1-3H3,(H,22,24)
InChIKeyDLCBUOWYPNHCOV-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.16
Rot. Bonds7

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 132668645) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
PubChem CID132668645
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1ccccc1C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C19H22Cl2N2O3S/c1-4-17(19(24)22-12-14-8-6-5-7-13(14)2)23(27(3,25)26)18-11-15(20)9-10-16(18)21/h5-11,17H,4,12H2,1-3H3,(H,22,24)
InChIKeyDLCBUOWYPNHCOV-UHFFFAOYSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-chlorophenyl)methyl]butanamide
CID 132668695
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133204258
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-phenylpropyl)butanamide
CID 132672790
(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 99130811
N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 53281295
(2S)-N-[(2-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 99132618
2-[[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132736511
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 132671738
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 53281375
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)butanamide
CID 132672237
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92675165
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide
CID 132663380

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide (CID 132668645) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide is CCC(C(=O)NCc1ccccc1C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is DLCBUOWYPNHCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-4-17(19(24)22-12-14-8-6-5-7-13(14)2)23(27(3,25)26)18-11-15(20)9-10-16(18)21/h5-11,17H,4,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 429.37 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 132668645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).