N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide

C20H23N3O3S2 — CID 2982336

IUPACN-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(Cc3cccs3)C(=S)N2C(C)C)cc1
InChIInChI=1S/C20H23N3O3S2/c1-13(2)23-17(11-18(24)21-14-6-8-15(26-3)9-7-14)19(25)22(20(23)27)12-16-5-4-10-28-16/h4-10,13,17H,11-12H2,1-3H3,(H,21,24)
InChIKeyZZCRNYNEYLPHFQ-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.49
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide

N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide (PubChem CID 2982336) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
PubChem CID2982336
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC NameN-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(Cc3cccs3)C(=S)N2C(C)C)cc1
InChIInChI=1S/C20H23N3O3S2/c1-13(2)23-17(11-18(24)21-14-6-8-15(26-3)9-7-14)19(25)22(20(23)27)12-16-5-4-10-28-16/h4-10,13,17H,11-12H2,1-3H3,(H,21,24)
InChIKeyZZCRNYNEYLPHFQ-UHFFFAOYSA-N
XLogP3.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

Pyrrolidine-1,2-dicarboxylic acid 1-[(2-methoxy-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3219706
N-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4598535
1-(4-methoxyphenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 6493197
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 9438703
1-(4-Methoxyphenyl)-3-[(thiophen-2-ylmethyl)amino]pyrrolidine-2,5-dione
CID 661792
3-(4-Ethoxyphenyl)-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2180088
Methyl [3-(4-methoxyphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1-imidazolidinyl]acetate
CID 2187911
2-{1-(4-methoxyphenyl)-5-oxo-3-[2-(thiophen-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}-N-phenylacetamide
CID 2962752
1-(4-Ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
CID 2997067
Pyrrolidine-1,2-dicarboxylic acid 1-[(2-ethoxy-phenyl)-amide] 2-[(thiophen-2-ylmethyl)-amide]
CID 3230263
N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl]acetamide
CID 3773843
N'-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(thien-2-ylmethyl)thiourea
CID 4247047

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide (CID 2982336) is N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide is COc1ccc(NC(=O)CC2C(=O)N(Cc3cccs3)C(=S)N2C(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
The InChIKey is ZZCRNYNEYLPHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-13(2)23-17(11-18(24)21-14-6-8-15(26-3)9-7-14)19(25)22(20(23)27)12-16-5-4-10-28-16/h4-10,13,17H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide?
N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide has a molecular weight of 417.56 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 2982336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).