N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide

C20H27N3O3S — CID 38255563

IUPACN-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
SMILESCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1C
InChIInChI=1S/C20H27N3O3S/c1-13-7-8-17(9-14(13)2)22-20(24)12-21-19-11-18(10-15(3)16(19)4)27(25,26)23(5)6/h7-11,21H,12H2,1-6H3,(H,22,24)
InChIKeyMRMKNVDTNUIIET-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.22
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide

N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide (PubChem CID 38255563) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
PubChem CID38255563
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
SMILESCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1C
InChIInChI=1S/C20H27N3O3S/c1-13-7-8-17(9-14(13)2)22-20(24)12-21-19-11-18(10-15(3)16(19)4)27(25,26)23(5)6/h7-11,21H,12H2,1-6H3,(H,22,24)
InChIKeyMRMKNVDTNUIIET-UHFFFAOYSA-N
XLogP3.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-N-(3-fluorophenyl)acetamide
CID 38255919
N-(2-bromo-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide
CID 38256249
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100486
N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100477
N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 4884058
N-(4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100574
N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100613
1-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-(3-fluoro-4-methylphenyl)thiourea
CID 8561554
2-(3,4-dimethylphenyl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2672838
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide (CID 38255563) is N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide is Cc1ccc(NC(=O)CNc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide?
The InChIKey is MRMKNVDTNUIIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-13-7-8-17(9-14(13)2)22-20(24)12-21-19-11-18(10-15(3)16(19)4)27(25,26)23(5)6/h7-11,21H,12H2,1-6H3,(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide?
N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide has a molecular weight of 389.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]acetamide is sourced from PubChem (CID 38255563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).