N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide

C21H28N2O3S — CID 46551786

IUPACN-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(C)C(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-6-17-9-7-8-15(2)21(17)22-20(24)14-23(4)16(3)18-10-12-19(13-11-18)27(5,25)26/h7-13,16H,6,14H2,1-5H3,(H,22,24)
InChIKeyYZPKGOKVVGUMBN-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.59
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide

N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide (PubChem CID 46551786) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
PubChem CID46551786
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(C)C(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H28N2O3S/c1-6-17-9-7-8-15(2)21(17)22-20(24)14-23(4)16(3)18-10-12-19(13-11-18)27(5,25)26/h7-13,16H,6,14H2,1-5H3,(H,22,24)
InChIKeyYZPKGOKVVGUMBN-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide
CID 95303333
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide
CID 55552669
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126124965
N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 33068523
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 45371881
ethyl 1-methyl-5-[[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetyl]amino]pyrazole-4-carboxylate
CID 56541386
N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 95594368
2-[benzhydryl(ethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 154794872
N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1317140
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 46551619

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide (CID 46551786) is N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide is CCc1cccc(C)c1NC(=O)CN(C)C(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide?
The InChIKey is YZPKGOKVVGUMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-6-17-9-7-8-15(2)21(17)22-20(24)14-23(4)16(3)18-10-12-19(13-11-18)27(5,25)26/h7-13,16H,6,14H2,1-5H3,(H,22,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 46551786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).