N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide

C18H22N2O3S — CID 113094525

IUPACN-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(C)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-7-5-6-8-15(14)13-18(21)19(2)16-9-11-17(12-10-16)20(3)24(4,22)23/h5-12H,13H2,1-4H3
InChIKeyDMMFKLRCDPQCHF-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.60
Rot. Bonds5

About N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide

N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide (PubChem CID 113094525) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide
PubChem CID113094525
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(C)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-7-5-6-8-15(14)13-18(21)19(2)16-9-11-17(12-10-16)20(3)24(4,22)23/h5-12H,13H2,1-4H3
InChIKeyDMMFKLRCDPQCHF-UHFFFAOYSA-N
XLogP2.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 28739159
2-(2,4-dimethylphenyl)-N-methyl-N-phenylacetamide
CID 100585469
N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 113094478
2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 62627248
2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
CID 115923550
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 133160616
1-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)ethanone
CID 105079467
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide
CID 109019309
2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methyl-N-phenylacetamide
CID 110773536
2-(2,5-dimethylphenyl)-N-(4-hydroxyphenyl)-N-methylacetamide
CID 62539015
2-(2-methylphenyl)acetic acid
CID 67440217

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide (CID 113094525) is N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)N(C)c1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide?
The InChIKey is DMMFKLRCDPQCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-7-5-6-8-15(14)13-18(21)19(2)16-9-11-17(12-10-16)20(3)24(4,22)23/h5-12H,13H2,1-4H3.
What are the key properties of N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide?
N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113094525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).