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

C19H21N3O2S2 — CID 4920034

IUPAC2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
SMILESCC(C)N1C(=S)N(Cc2cccs2)C(=O)C1CC(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O2S2/c1-13(2)22-16(11-17(23)20-14-7-4-3-5-8-14)18(24)21(19(22)25)12-15-9-6-10-26-15/h3-10,13,16H,11-12H2,1-2H3,(H,20,23)
InChIKeyAYRFPMSYHSKPSE-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.48
Rot. Bonds6

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

2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide (PubChem CID 4920034) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
PubChem CID4920034
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC Name2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
SMILESCC(C)N1C(=S)N(Cc2cccs2)C(=O)C1CC(=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O2S2/c1-13(2)22-16(11-17(23)20-14-7-4-3-5-8-14)18(24)21(19(22)25)12-15-9-6-10-26-15/h3-10,13,16H,11-12H2,1-2H3,(H,20,23)
InChIKeyAYRFPMSYHSKPSE-UHFFFAOYSA-N
XLogP3.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 40783995
methyl 4-[[2-[(4S)-1-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 28748799
N-(4-ethoxyphenyl)-2-[(4R)-1-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 1259412
ethyl 4-[[2-[(4R)-1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 1265206
2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
CID 19584942
2-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-3-propan-2-ylimidazolidin-4-yl]-N-phenylacetamide
CID 28851556
2-[(4S)-1-benzyl-3-[(4-methoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 40922337
N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
CID 26526321
2-[1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4012319
N-[5-(2-anilino-2-oxoethyl)-3-ethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 2892403
2-[(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 41015659
2-[1-ethyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4669968

Frequently Asked Questions

What is the IUPAC name of 2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide (CID 4920034) is 2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide is CC(C)N1C(=S)N(Cc2cccs2)C(=O)C1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is AYRFPMSYHSKPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-13(2)22-16(11-17(23)20-14-7-4-3-5-8-14)18(24)21(19(22)25)12-15-9-6-10-26-15/h3-10,13,16H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 387.53 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxo-3-propan-2-yl-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 4920034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).