N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide

C20H27N3O3S — CID 132659078

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1C
InChIInChI=1S/C20H27N3O3S/c1-15-11-12-18(13-16(15)2)17(3)21-20(24)14-23(27(25,26)22(4)5)19-9-7-6-8-10-19/h6-13,17H,14H2,1-5H3,(H,21,24)
InChIKeyCCIMSYHEVVOWFX-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.79
Rot. Bonds7

About N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide

N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide (PubChem CID 132659078) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
PubChem CID132659078
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1C
InChIInChI=1S/C20H27N3O3S/c1-15-11-12-18(13-16(15)2)17(3)21-20(24)14-23(27(25,26)22(4)5)19-9-7-6-8-10-19/h6-13,17H,14H2,1-5H3,(H,21,24)
InChIKeyCCIMSYHEVVOWFX-UHFFFAOYSA-N
XLogP2.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210794
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 132665488
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30175041
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43891929
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
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 43895867
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43895310
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 75627878
N-[1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 43898664
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43895591
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30303248

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide (CID 132659078) is N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide is Cc1ccc(C(C)NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The InChIKey is CCIMSYHEVVOWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15-11-12-18(13-16(15)2)17(3)21-20(24)14-23(27(25,26)22(4)5)19-9-7-6-8-10-19/h6-13,17H,14H2,1-5H3,(H,21,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide has a molecular weight of 389.52 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 132659078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).