N-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide

C14H16N4O3S — CID 5239058

IUPACN-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
SMILESCNC(=O)CC1C(=O)N(C)C(=S)N1NC(=O)c1ccccc1
InChIInChI=1S/C14H16N4O3S/c1-15-11(19)8-10-13(21)17(2)14(22)18(10)16-12(20)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyZOKRTADITABMAQ-UHFFFAOYSA-N
MW320.37 g/mol
LogP-0.10
Rot. Bonds4

About N-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide

N-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide (PubChem CID 5239058) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
PubChem CID5239058
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
SMILESCNC(=O)CC1C(=O)N(C)C(=S)N1NC(=O)c1ccccc1
InChIInChI=1S/C14H16N4O3S/c1-15-11(19)8-10-13(21)17(2)14(22)18(10)16-12(20)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyZOKRTADITABMAQ-UHFFFAOYSA-N
XLogP-0.10
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
The IUPAC name of N-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide (CID 5239058) is N-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide.
What is the SMILES notation for N-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
The canonical SMILES for N-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide is CNC(=O)CC1C(=O)N(C)C(=S)N1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
The InChIKey is ZOKRTADITABMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-15-11(19)8-10-13(21)17(2)14(22)18(10)16-12(20)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
N-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide has a molecular weight of 320.37 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide is sourced from PubChem (CID 5239058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).