N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine

C16H24N4O2S — CID 166203507

IUPACN-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine
SMILESCc1ccc(C(Cn2ccnc2)NS(=O)(=O)NC(C)C)c(C)c1
InChIInChI=1S/C16H24N4O2S/c1-12(2)18-23(21,22)19-16(10-20-8-7-17-11-20)15-6-5-13(3)9-14(15)4/h5-9,11-12,16,18-19H,10H2,1-4H3
InChIKeyLPGZKQUCYFJKHE-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.07
Rot. Bonds7

About N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine

N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine (PubChem CID 166203507) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine
PubChem CID166203507
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine
SMILESCc1ccc(C(Cn2ccnc2)NS(=O)(=O)NC(C)C)c(C)c1
InChIInChI=1S/C16H24N4O2S/c1-12(2)18-23(21,22)19-16(10-20-8-7-17-11-20)15-6-5-13(3)9-14(15)4/h5-9,11-12,16,18-19H,10H2,1-4H3
InChIKeyLPGZKQUCYFJKHE-UHFFFAOYSA-N
XLogP2.07
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61326541
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94014126
N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46766795
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
3-imidazol-1-yl-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-1-amine
CID 43773831
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one
CID 63769355
1-[2-(sulfamoylamino)propyl]imidazole
CID 112686375
ethyl 11-[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethoxy]undecanoate
CID 142869410
N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 61326129
N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 94448585
1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780969

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine?
The IUPAC name of N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine (CID 166203507) is N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine is Cc1ccc(C(Cn2ccnc2)NS(=O)(=O)NC(C)C)c(C)c1.
What is the InChIKey of N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine?
The InChIKey is LPGZKQUCYFJKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-12(2)18-23(21,22)19-16(10-20-8-7-17-11-20)15-6-5-13(3)9-14(15)4/h5-9,11-12,16,18-19H,10H2,1-4H3.
What are the key properties of N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine?
N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine has a molecular weight of 336.46 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethyl]sulfamoyl]propan-2-amine is sourced from PubChem (CID 166203507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).