N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

C19H18ClN3O3S — CID 94199430

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C19H18ClN3O3S/c20-15-6-5-13(27-15)8-10-21-16(24)11-23-17(25)19(22-18(23)26)9-7-12-3-1-2-4-14(12)19/h1-6H,7-11H2,(H,21,24)(H,22,26)/t19-/m1/s1
InChIKeyBURZKXPWBVAGBL-LJQANCHMSA-N
MW403.89 g/mol
LogP2.45
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 94199430) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
PubChem CID94199430
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C19H18ClN3O3S/c20-15-6-5-13(27-15)8-10-21-16(24)11-23-17(25)19(22-18(23)26)9-7-12-3-1-2-4-14(12)19/h1-6H,7-11H2,(H,21,24)(H,22,26)/t19-/m1/s1
InChIKeyBURZKXPWBVAGBL-LJQANCHMSA-N
XLogP2.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 5182693
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4204330
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-(2-phenylethyl)acetamide
CID 18074180
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2084417
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 2702853
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-phenylpropyl)acetamide
CID 4810193
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447377
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 18118794
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 33033622
N-[(2-chlorophenyl)methyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2706032
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 2505076
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92509614

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (CID 94199430) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is BURZKXPWBVAGBL-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c20-15-6-5-13(27-15)8-10-21-16(24)11-23-17(25)19(22-18(23)26)9-7-12-3-1-2-4-14(12)19/h1-6H,7-11H2,(H,21,24)(H,22,26)/t19-/m1/s1.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 403.89 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 94199430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).