N-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C18H26N4O3S — CID 6493528

IUPACN-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCCCn2ccnc2)c(C)c1
InChIInChI=1S/C18H26N4O3S/c1-14-10-15(2)18(16(3)11-14)26(24,25)21(4)12-17(23)20-6-5-8-22-9-7-19-13-22/h7,9-11,13H,5-6,8,12H2,1-4H3,(H,20,23)
InChIKeyGWMLCXJBDLVERC-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.64
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 6493528) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID6493528
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCCCn2ccnc2)c(C)c1
InChIInChI=1S/C18H26N4O3S/c1-14-10-15(2)18(16(3)11-14)26(24,25)21(4)12-17(23)20-6-5-8-22-9-7-19-13-22/h7,9-11,13H,5-6,8,12H2,1-4H3,(H,20,23)
InChIKeyGWMLCXJBDLVERC-UHFFFAOYSA-N
XLogP1.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 6493528) is N-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NCCCn2ccnc2)c(C)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is GWMLCXJBDLVERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-14-10-15(2)18(16(3)11-14)26(24,25)21(4)12-17(23)20-6-5-8-22-9-7-19-13-22/h7,9-11,13H,5-6,8,12H2,1-4H3,(H,20,23).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 378.50 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 6493528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).