2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide

C18H20Cl2N2O3S — CID 46771727

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O3S/c1-13(18(23)21(2)12-14-7-9-15(19)10-8-14)22(26(3,24)25)17-6-4-5-16(20)11-17/h4-11,13H,12H2,1-3H3
InChIKeyTWMRTQTUVOZHQJ-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.81
Rot. Bonds6

About 2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide

2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide (PubChem CID 46771727) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
PubChem CID46771727
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
SMILESCC(C(=O)N(C)Cc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C18H20Cl2N2O3S/c1-13(18(23)21(2)12-14-7-9-15(19)10-8-14)22(26(3,24)25)17-6-4-5-16(20)11-17/h4-11,13H,12H2,1-3H3
InChIKeyTWMRTQTUVOZHQJ-UHFFFAOYSA-N
XLogP3.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 43917021
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylpropanamide
CID 40635196
(2R)-N-[(4-chlorophenyl)methyl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-methylpropanamide
CID 92672115
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanoic acid
CID 7393703
(2R)-N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 30388969
N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 43905083
(2R)-2-(3-chloro-N-methylsulfonylanilino)propanamide
CID 7393668
(2S)-2-(3-chloro-N-methylsulfonylanilino)propanoate
CID 7393700
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 28576351
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonyl-3-nitroanilino)propanamide
CID 132666655

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide (CID 46771727) is 2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide is CC(C(=O)N(C)Cc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
The InChIKey is TWMRTQTUVOZHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-13(18(23)21(2)12-14-7-9-15(19)10-8-14)22(26(3,24)25)17-6-4-5-16(20)11-17/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide?
2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide has a molecular weight of 415.34 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 46771727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).