N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

C20H26N2O3S — CID 100794874

IUPACN-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCc1ccc(N(C)C(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C20H26N2O3S/c1-16-10-11-19(14-17(16)2)21(3)20(23)15-22(26(4,24)25)13-12-18-8-6-5-7-9-18/h5-11,14H,12-13,15H2,1-4H3
InChIKeyLTDSUBCWVMMKIH-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.77
Rot. Bonds7

About N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (PubChem CID 100794874) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
PubChem CID100794874
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCc1ccc(N(C)C(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C20H26N2O3S/c1-16-10-11-19(14-17(16)2)21(3)20(23)15-22(26(4,24)25)13-12-18-8-6-5-7-9-18/h5-11,14H,12-13,15H2,1-4H3
InChIKeyLTDSUBCWVMMKIH-UHFFFAOYSA-N
XLogP2.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100795039
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylacetamide
CID 113152304
N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151893
N-(3,4-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]-N-methylacetamide
CID 100784998
N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151862
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 113151832
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 100793562
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140730
2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067498
2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 132725670

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (CID 100794874) is N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is Cc1ccc(N(C)C(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The InChIKey is LTDSUBCWVMMKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16-10-11-19(14-17(16)2)21(3)20(23)15-22(26(4,24)25)13-12-18-8-6-5-7-9-18/h5-11,14H,12-13,15H2,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 100794874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).