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

C18H16N4O3S — CID 3589854

IUPACN-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide
SMILESNC(=O)CC1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1ccccc1
InChIInChI=1S/C18H16N4O3S/c19-15(23)11-14-17(25)21(13-9-5-2-6-10-13)18(26)22(14)20-16(24)12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,19,23)(H,20,24)
InChIKeyCDKIYZKBQJHDGX-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.21
Rot. Bonds5

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

N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide (PubChem CID 3589854) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide
PubChem CID3589854
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide
SMILESNC(=O)CC1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1ccccc1
InChIInChI=1S/C18H16N4O3S/c19-15(23)11-14-17(25)21(13-9-5-2-6-10-13)18(26)22(14)20-16(24)12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,19,23)(H,20,24)
InChIKeyCDKIYZKBQJHDGX-UHFFFAOYSA-N
XLogP1.21
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.21
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)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide (CID 3589854) is N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide is NC(=O)CC1C(=O)N(c2ccccc2)C(=S)N1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide?
The InChIKey is CDKIYZKBQJHDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c19-15(23)11-14-17(25)21(13-9-5-2-6-10-13)18(26)22(14)20-16(24)12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,19,23)(H,20,24).
What are the key properties of N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide?
N-[5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide has a molecular weight of 368.42 g/mol, XLogP of 1.21, 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)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide is sourced from PubChem (CID 3589854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).