N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

C17H24N4O3S2 — CID 4878648

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nccn2C)ccc1C
InChIInChI=1S/C17H24N4O3S2/c1-5-21(6-2)26(23,24)15-11-14(8-7-13(15)3)19-16(22)12-25-17-18-9-10-20(17)4/h7-11H,5-6,12H2,1-4H3,(H,19,22)
InChIKeyVGMFOTSDXSGUSE-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.49
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 4878648) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID4878648
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nccn2C)ccc1C
InChIInChI=1S/C17H24N4O3S2/c1-5-21(6-2)26(23,24)15-11-14(8-7-13(15)3)19-16(22)12-25-17-18-9-10-20(17)4/h7-11H,5-6,12H2,1-4H3,(H,19,22)
InChIKeyVGMFOTSDXSGUSE-UHFFFAOYSA-N
XLogP2.49
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 4878648) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nccn2C)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is VGMFOTSDXSGUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-5-21(6-2)26(23,24)15-11-14(8-7-13(15)3)19-16(22)12-25-17-18-9-10-20(17)4/h7-11H,5-6,12H2,1-4H3,(H,19,22).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 396.54 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 4878648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).