2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide

C16H23N5O3S — CID 46364496

IUPAC2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
SMILESCc1ccc(N(CC(=O)NCCc2cnc[nH]2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H23N5O3S/c1-13-4-6-15(7-5-13)21(25(23,24)20(2)3)11-16(22)18-9-8-14-10-17-12-19-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,17,19)(H,18,22)
InChIKeyNGKBCKNHGCLWSW-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.69
Rot. Bonds8

About 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide

2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (PubChem CID 46364496) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
PubChem CID46364496
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
SMILESCc1ccc(N(CC(=O)NCCc2cnc[nH]2)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H23N5O3S/c1-13-4-6-15(7-5-13)21(25(23,24)20(2)3)11-16(22)18-9-8-14-10-17-12-19-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,17,19)(H,18,22)
InChIKeyNGKBCKNHGCLWSW-UHFFFAOYSA-N
XLogP0.69
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide
CID 50807963
copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
CID 139185524
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methylphenyl)acetamide
CID 53283197
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(3-ethoxypropyl)acetamide
CID 92664035
N-[2-(1H-imidazol-5-yl)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 56643063
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 50807919
(2S)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanamide
CID 101074415
4-(2,5-dimethylpyrrol-1-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 110205924
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 135107481
2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (CID 46364496) is 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is Cc1ccc(N(CC(=O)NCCc2cnc[nH]2)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The InChIKey is NGKBCKNHGCLWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-13-4-6-15(7-5-13)21(25(23,24)20(2)3)11-16(22)18-9-8-14-10-17-12-19-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,17,19)(H,18,22).
What are the key properties of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide has a molecular weight of 365.46 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 46364496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).