N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide

C19H23ClN2O4S — CID 132663881

IUPACN-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(C)cc1N(C(C)C(=O)Nc1ccc(C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O4S/c1-12-6-9-18(26-4)17(10-12)22(27(5,24)25)14(3)19(23)21-15-8-7-13(2)16(20)11-15/h6-11,14H,1-5H3,(H,21,23)
InChIKeyRPAGXDIEOUDWPV-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.76
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide

N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 132663881) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
PubChem CID132663881
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(C)cc1N(C(C)C(=O)Nc1ccc(C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O4S/c1-12-6-9-18(26-4)17(10-12)22(27(5,24)25)14(3)19(23)21-15-8-7-13(2)16(20)11-15/h6-11,14H,1-5H3,(H,21,23)
InChIKeyRPAGXDIEOUDWPV-UHFFFAOYSA-N
XLogP3.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561113
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234263
N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2978487
(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-pyridin-3-ylpropanamide
CID 95119251
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 132668886
(2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7376444
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 125044225
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 132665763
ethyl 2-chloro-5-[2-(2,5-dimethyl-N-methylsulfonylanilino)propanoylamino]benzoate
CID 46770142
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 8991560
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide
CID 132662721
N-(3,4-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 132674088

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide (CID 132663881) is N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide is COc1ccc(C)cc1N(C(C)C(=O)Nc1ccc(C)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is RPAGXDIEOUDWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-12-6-9-18(26-4)17(10-12)22(27(5,24)25)14(3)19(23)21-15-8-7-13(2)16(20)11-15/h6-11,14H,1-5H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide?
N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 410.92 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132663881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).