3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide

C19H23ClN2O3S — CID 113144052

IUPAC3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCN(c1cc(Cl)ccc1C)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-14-6-4-5-7-16(14)13-21-19(23)10-11-22(26(3,24)25)18-12-17(20)9-8-15(18)2/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyIGENSCRUJSKLPC-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.43
Rot. Bonds7

About 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide

3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 113144052) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID113144052
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCN(c1cc(Cl)ccc1C)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-14-6-4-5-7-16(14)13-21-19(23)10-11-22(26(3,24)25)18-12-17(20)9-8-15(18)2/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)
InChIKeyIGENSCRUJSKLPC-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113144057
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113144050
N-(4-chloro-2-methylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141688
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
CID 53287737
N-benzyl-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1095286
3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113143546
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113144144
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113069838
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 126035767
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142476
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113144095

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide (CID 113144052) is 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)CCN(c1cc(Cl)ccc1C)S(C)(=O)=O.
What is the InChIKey of 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is IGENSCRUJSKLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-6-4-5-7-16(14)13-21-19(23)10-11-22(26(3,24)25)18-12-17(20)9-8-15(18)2/h4-9,12H,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 394.92 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113144052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).