2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide

C22H18ClN3O3S — CID 19584942

IUPAC2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
SMILESO=C(CC1C(=O)N(c2cccc(Cl)c2)C(=O)N1Cc1cccs1)Nc1ccccc1
InChIInChI=1S/C22H18ClN3O3S/c23-15-6-4-9-17(12-15)26-21(28)19(13-20(27)24-16-7-2-1-3-8-16)25(22(26)29)14-18-10-5-11-30-18/h1-12,19H,13-14H2,(H,24,27)
InChIKeyWBUPHPHUVHJRTQ-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.77
Rot. Bonds6

About 2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide

2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide (PubChem CID 19584942) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
PubChem CID19584942
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
SMILESO=C(CC1C(=O)N(c2cccc(Cl)c2)C(=O)N1Cc1cccs1)Nc1ccccc1
InChIInChI=1S/C22H18ClN3O3S/c23-15-6-4-9-17(12-15)26-21(28)19(13-20(27)24-16-7-2-1-3-8-16)25(22(26)29)14-18-10-5-11-30-18/h1-12,19H,13-14H2,(H,24,27)
InChIKeyWBUPHPHUVHJRTQ-UHFFFAOYSA-N
XLogP4.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-[(4R)-1-(3-methylphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
CID 40774483
2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 2979255
methyl 4-[[2-[(4S)-1-(4-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 40774488
N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
CID 41284920
ethyl 3-[[2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 41284880
methyl 3-[[2-[(4S)-1-(4-methylphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 92525286
ethyl 3-[[2-[1-(4-fluorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 2981583
ethyl 3-[[2-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 26526274
2-[(4S)-2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 40785156
N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide
CID 4918768
2-[(4R)-1-(4-methylphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 41284675
2-[1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 3457715

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide (CID 19584942) is 2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide is O=C(CC1C(=O)N(c2cccc(Cl)c2)C(=O)N1Cc1cccs1)Nc1ccccc1.
What is the InChIKey of 2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is WBUPHPHUVHJRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c23-15-6-4-9-17(12-15)26-21(28)19(13-20(27)24-16-7-2-1-3-8-16)25(22(26)29)14-18-10-5-11-30-18/h1-12,19H,13-14H2,(H,24,27).
What are the key properties of 2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 439.92 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 19584942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).