N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide

C17H19ClN4O4S2 — CID 11669412

IUPACN-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)CCCN1C(=S)N(c2ccc(C#N)c(Cl)c2)C(=O)C1(C)C
InChIInChI=1S/C17H19ClN4O4S2/c1-11(23)20-28(25,26)8-4-7-21-16(27)22(15(24)17(21,2)3)13-6-5-12(10-19)14(18)9-13/h5-6,9H,4,7-8H2,1-3H3,(H,20,23)
InChIKeyQRCAEJCPVFLLSB-UHFFFAOYSA-N
MW442.95 g/mol
LogP1.78
Rot. Bonds6

About N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide

N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide (PubChem CID 11669412) has the molecular formula C17H19ClN4O4S2 and a molecular weight of 442.95 g/mol. Its IUPAC name is N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide
PubChem CID11669412
Molecular FormulaC17H19ClN4O4S2
Molecular Weight442.95 g/mol
Exact Mass442.05
IUPAC NameN-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)CCCN1C(=S)N(c2ccc(C#N)c(Cl)c2)C(=O)C1(C)C
InChIInChI=1S/C17H19ClN4O4S2/c1-11(23)20-28(25,26)8-4-7-21-16(27)22(15(24)17(21,2)3)13-6-5-12(10-19)14(18)9-13/h5-6,9H,4,7-8H2,1-3H3,(H,20,23)
InChIKeyQRCAEJCPVFLLSB-UHFFFAOYSA-N
XLogP1.78
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide?
The IUPAC name of N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide (CID 11669412) is N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide.
What is the SMILES notation for N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide?
The canonical SMILES for N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide is CC(=O)NS(=O)(=O)CCCN1C(=S)N(c2ccc(C#N)c(Cl)c2)C(=O)C1(C)C.
What is the InChIKey of N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide?
The InChIKey is QRCAEJCPVFLLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O4S2/c1-11(23)20-28(25,26)8-4-7-21-16(27)22(15(24)17(21,2)3)13-6-5-12(10-19)14(18)9-13/h5-6,9H,4,7-8H2,1-3H3,(H,20,23).
What are the key properties of N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide?
N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide has a molecular weight of 442.95 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]acetamide is sourced from PubChem (CID 11669412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).