2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide

C14H20Cl2N2O3S — CID 53281217

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-9(2)8-17-14(19)10(3)18(22(4,20)21)13-7-11(15)5-6-12(13)16/h5-7,9-10H,8H2,1-4H3,(H,17,19)
InChIKeyKXCNYRDGAJYERG-UHFFFAOYSA-N
MW367.30 g/mol
LogP2.92
Rot. Bonds6

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide (PubChem CID 53281217) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
PubChem CID53281217
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-9(2)8-17-14(19)10(3)18(22(4,20)21)13-7-11(15)5-6-12(13)16/h5-7,9-10H,8H2,1-4H3,(H,17,19)
InChIKeyKXCNYRDGAJYERG-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561154
(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 99130811
(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 124561170
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991605
N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 53281295
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-pentan-2-yl]propanamide
CID 8991613
methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 7378362
methyl 2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 2985850
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 53281220
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561203
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92675165
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 92684542

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide (CID 53281217) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is KXCNYRDGAJYERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-9(2)8-17-14(19)10(3)18(22(4,20)21)13-7-11(15)5-6-12(13)16/h5-7,9-10H,8H2,1-4H3,(H,17,19).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 367.30 g/mol, XLogP of 2.92, 6 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-methylpropyl)propanamide is sourced from PubChem (CID 53281217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).