2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide

About 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide

2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 27915789) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name	2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID	27915789
Molecular Formula	C27H27N3O3S
Molecular Weight	473.60 g/mol
Exact Mass	473.18
IUPAC Name	2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILES	O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N(CCc1ccccc1)Cc1cccs1
InChI	InChI=1S/C27H27N3O3S/c31-24(29(18-22-12-7-17-34-22)16-14-20-8-2-1-3-9-20)19-30-25(32)27(28-26(30)33)15-6-11-21-10-4-5-13-23(21)27/h1-5,7-10,12-13,17H,6,11,14-16,18-19H2,(H,28,33)/t27-/m0/s1
InChIKey	KRUOVFWZRHMZDE-MHZLTWQESA-N
XLogP	4.10
TPSA	69.72 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.60
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide (CID 27915789) is 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)N(CCc1ccccc1)Cc1cccs1.

What is the InChIKey of 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is KRUOVFWZRHMZDE-MHZLTWQESA-N. The full InChI is InChI=1S/C27H27N3O3S/c31-24(29(18-22-12-7-17-34-22)16-14-20-8-2-1-3-9-20)19-30-25(32)27(28-26(30)33)15-6-11-21-10-4-5-13-23(21)27/h1-5,7-10,12-13,17H,6,11,14-16,18-19H2,(H,28,33)/t27-/m0/s1.

What are the key properties of 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?

2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 473.60 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 27915789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).