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

C19H17N3O2S — CID 4210056

IUPACN-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide
SMILESCC(=O)N(C=C1C(=O)N(C)C(=S)N1c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3O2S/c1-14(23)21(15-9-5-3-6-10-15)13-17-18(24)20(2)19(25)22(17)16-11-7-4-8-12-16/h3-13H,1-2H3
InChIKeyFLTOFQUPINBVGR-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.14
Rot. Bonds3

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

N-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide (PubChem CID 4210056) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide
PubChem CID4210056
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide
SMILESCC(=O)N(C=C1C(=O)N(C)C(=S)N1c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17N3O2S/c1-14(23)21(15-9-5-3-6-10-15)13-17-18(24)20(2)19(25)22(17)16-11-7-4-8-12-16/h3-13H,1-2H3
InChIKeyFLTOFQUPINBVGR-UHFFFAOYSA-N
XLogP3.14
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.14
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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Related Compounds

N-[(1,3-dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide
CID 3577239
N-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-phenylacetamide
CID 21233395
N-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-phenylacetamide
CID 5187139
N-[(E)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide
CID 6230404
N-[(Z)-(2-ethyl-5-oxo-3-sulfanylidene-1,2-thiazolidin-4-ylidene)methyl]-N-phenylacetamide
CID 5294505
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 1292722
5-[(4-chlorophenyl)methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 898928
5-(dimethylaminomethylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3648464
(5Z)-5-(dimethylaminomethylidene)-1-methyl-3-phenylimidazolidine-2,4-dione
CID 70552065
1-methyl-5-[(4-methylsulfanylphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 2933601
1-methyl-5-(naphthalen-1-ylmethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 900277
1,3-diphenyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15597362

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide?
The IUPAC name of N-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide (CID 4210056) is N-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide.
What is the SMILES notation for N-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide?
The canonical SMILES for N-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide is CC(=O)N(C=C1C(=O)N(C)C(=S)N1c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide?
The InChIKey is FLTOFQUPINBVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-14(23)21(15-9-5-3-6-10-15)13-17-18(24)20(2)19(25)22(17)16-11-7-4-8-12-16/h3-13H,1-2H3.
What are the key properties of N-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide?
N-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide has a molecular weight of 351.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-oxo-3-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]-N-phenylacetamide is sourced from PubChem (CID 4210056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).