N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide

C18H22N2O3S — CID 41465695

IUPACN-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-7-9-15(10-8-14)11-12-18(21)19-16-5-4-6-17(13-16)20(2)24(3,22)23/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyNUJCGRNYEOQHOO-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.96
Rot. Bonds6

About N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide

N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide (PubChem CID 41465695) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide
PubChem CID41465695
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-7-9-15(10-8-14)11-12-18(21)19-16-5-4-6-17(13-16)20(2)24(3,22)23/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyNUJCGRNYEOQHOO-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 4841035
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126142617
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1315993
3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide
CID 115375741
N-[3-(bromomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114307276
N-[3-(chloromethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114293248
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2111546
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126129293
N-(3-methylphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126363159
2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1314108

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide (CID 41465695) is N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide?
The InChIKey is NUJCGRNYEOQHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-7-9-15(10-8-14)11-12-18(21)19-16-5-4-6-17(13-16)20(2)24(3,22)23/h4-10,13H,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide?
N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 346.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 41465695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).