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

C18H21ClN2O4S — CID 113144536

IUPACN-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1ccc(Cl)cc1C)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-13-12-14(19)8-9-15(13)20-18(22)10-11-21(26(3,23)24)16-6-4-5-7-17(16)25-2/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyYBYCONDBHSGRIO-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.45
Rot. Bonds7

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

N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 113144536) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID113144536
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1ccc(Cl)cc1C)S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O4S/c1-13-12-14(19)8-9-15(13)20-18(22)10-11-21(26(3,23)24)16-6-4-5-7-17(16)25-2/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyYBYCONDBHSGRIO-UHFFFAOYSA-N
XLogP3.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141688
N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144532
N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141532
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113144144
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142311
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539
N-(2,4-dimethylphenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1320489
N-(2,4-dimethylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141664
N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141702
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
N-(4-chloro-2-methylphenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137729

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide (CID 113144536) is N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide is COc1ccccc1N(CCC(=O)Nc1ccc(Cl)cc1C)S(C)(=O)=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is YBYCONDBHSGRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13-12-14(19)8-9-15(13)20-18(22)10-11-21(26(3,23)24)16-6-4-5-7-17(16)25-2/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide?
N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 396.90 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113144536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).