3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide

C18H21ClN2O3S — CID 113144144

IUPAC3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCN(c1ccc(Cl)cc1C)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-13-6-4-5-7-16(13)20-18(22)10-11-21(25(3,23)24)17-9-8-15(19)12-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyDJMYEGATCVNBIY-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.75
Rot. Bonds6

About 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide

3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide (PubChem CID 113144144) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
PubChem CID113144144
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCN(c1ccc(Cl)cc1C)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O3S/c1-13-6-4-5-7-16(13)20-18(22)10-11-21(25(3,23)24)17-9-8-15(19)12-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyDJMYEGATCVNBIY-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141688
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144145
N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141532
N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144536
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide
CID 113142084
N-(2,4-dimethylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141664
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113144165
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142311
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113144052

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide (CID 113144144) is 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCN(c1ccc(Cl)cc1C)S(C)(=O)=O.
What is the InChIKey of 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is DJMYEGATCVNBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13-6-4-5-7-16(13)20-18(22)10-11-21(25(3,23)24)17-9-8-15(19)12-14(17)2/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide?
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 380.90 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 113144144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).