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

C19H23ClN2O3S — CID 113142859

IUPACN-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(N(CCC(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-4-15-8-10-16(11-9-15)22(26(3,24)25)13-12-19(23)21-18-7-5-6-17(20)14(18)2/h5-11H,4,12-13H2,1-3H3,(H,21,23)
InChIKeyJYVKYIULVNZZMW-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.01
Rot. Bonds7

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

N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113142859) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide
PubChem CID113142859
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide
SMILESCCc1ccc(N(CCC(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-4-15-8-10-16(11-9-15)22(26(3,24)25)13-12-19(23)21-18-7-5-6-17(20)14(18)2/h5-11H,4,12-13H2,1-3H3,(H,21,23)
InChIKeyJYVKYIULVNZZMW-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113143927
N-(2-chlorophenyl)-3-[4-(dimethylamino)-N-methylsulfonylanilino]propanamide
CID 113145747
N-(3-chloro-2-methylphenyl)-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 132660099
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1357728
N-(3-chloro-2-methylphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1352948
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23761147
4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
CID 9173147
3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113142775
N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 45000329
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800
4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
CID 53286952

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide (CID 113142859) is N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide is CCc1ccc(N(CCC(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is JYVKYIULVNZZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-4-15-8-10-16(11-9-15)22(26(3,24)25)13-12-19(23)21-18-7-5-6-17(20)14(18)2/h5-11H,4,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide?
N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 394.92 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(4-ethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113142859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).