N-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide

C20H19N3O2S — CID 2177873

IUPACN-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide
SMILESCCN1C(=O)/C(=C/N(C(C)=O)c2ccccc2)N(c2ccccc2)C1=S
InChIInChI=1S/C20H19N3O2S/c1-3-21-19(25)18(23(20(21)26)17-12-8-5-9-13-17)14-22(15(2)24)16-10-6-4-7-11-16/h4-14H,3H2,1-2H3/b18-14-
InChIKeyNATNSCSPRLIHAB-JXAWBTAJSA-N
MW365.46 g/mol
LogP3.53
Rot. Bonds4

About N-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide

N-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide (PubChem CID 2177873) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide
PubChem CID2177873
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide
SMILESCCN1C(=O)/C(=C/N(C(C)=O)c2ccccc2)N(c2ccccc2)C1=S
InChIInChI=1S/C20H19N3O2S/c1-3-21-19(25)18(23(20(21)26)17-12-8-5-9-13-17)14-22(15(2)24)16-10-6-4-7-11-16/h4-14H,3H2,1-2H3/b18-14-
InChIKeyNATNSCSPRLIHAB-JXAWBTAJSA-N
XLogP3.53
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide?
The IUPAC name of N-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide (CID 2177873) is N-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide.
What is the SMILES notation for N-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide?
The canonical SMILES for N-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide is CCN1C(=O)/C(=C/N(C(C)=O)c2ccccc2)N(c2ccccc2)C1=S.
What is the InChIKey of N-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide?
The InChIKey is NATNSCSPRLIHAB-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-3-21-19(25)18(23(20(21)26)17-12-8-5-9-13-17)14-22(15(2)24)16-10-6-4-7-11-16/h4-14H,3H2,1-2H3/b18-14-.
What are the key properties of N-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide?
N-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide has a molecular weight of 365.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide is sourced from PubChem (CID 2177873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).