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

C14H16N4O3S — CID 3293736

IUPACN-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
SMILESCCN1C(=O)C(CC(N)=O)N(NC(=O)c2ccccc2)C1=S
InChIInChI=1S/C14H16N4O3S/c1-2-17-13(21)10(8-11(15)19)18(14(17)22)16-12(20)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,15,19)(H,16,20)
InChIKeySOKQYYXEGCOVTC-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.02
Rot. Bonds5

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

N-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide (PubChem CID 3293736) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
PubChem CID3293736
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
SMILESCCN1C(=O)C(CC(N)=O)N(NC(=O)c2ccccc2)C1=S
InChIInChI=1S/C14H16N4O3S/c1-2-17-13(21)10(8-11(15)19)18(14(17)22)16-12(20)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,15,19)(H,16,20)
InChIKeySOKQYYXEGCOVTC-UHFFFAOYSA-N
XLogP0.02
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.02
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-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide (CID 3293736) is N-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide is CCN1C(=O)C(CC(N)=O)N(NC(=O)c2ccccc2)C1=S.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
The InChIKey is SOKQYYXEGCOVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-2-17-13(21)10(8-11(15)19)18(14(17)22)16-12(20)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,15,19)(H,16,20).
What are the key properties of N-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide?
N-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide has a molecular weight of 320.37 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide is sourced from PubChem (CID 3293736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).