N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide

C20H26N2O4S — CID 43895591

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-14-6-7-17(12-15(14)2)16(3)21-20(23)13-22(27(5,24)25)18-8-10-19(26-4)11-9-18/h6-12,16H,13H2,1-5H3,(H,21,23)
InChIKeyWHNDIQIJEDFDPN-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.96
Rot. Bonds7

About N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide

N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 43895591) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID43895591
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NC(C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O4S/c1-14-6-7-17(12-15(14)2)16(3)21-20(23)13-22(27(5,24)25)18-8-10-19(26-4)11-9-18/h6-12,16H,13H2,1-5H3,(H,21,23)
InChIKeyWHNDIQIJEDFDPN-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)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

2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94016440
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30303252
N-[1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43896190
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897371
2-(4-iodo-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94012982
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 43895867
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 46763358
N-[1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43898664
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43895310
2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890982
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28572366
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide
CID 43896632

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide (CID 43895591) is N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide is COc1ccc(N(CC(=O)NC(C)c2ccc(C)c(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is WHNDIQIJEDFDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14-6-7-17(12-15(14)2)16(3)21-20(23)13-22(27(5,24)25)18-8-10-19(26-4)11-9-18/h6-12,16H,13H2,1-5H3,(H,21,23).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 43895591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).