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

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

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 40786869) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound Name	N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
PubChem CID	40786869
Molecular Formula	C23H26N4O5S
Molecular Weight	470.55 g/mol
Exact Mass	470.16
IUPAC Name	N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
SMILES	Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O
InChI	InChI=1S/C23H26N4O5S/c1-15-10-11-17(33(31,32)26(2)3)13-19(15)24-20(28)14-27-21(29)23(25-22(27)30)12-6-8-16-7-4-5-9-18(16)23/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3,(H,24,28)(H,25,30)/t23-/m0/s1
InChIKey	KNKMXGWHUQIJKO-QHCPKHFHSA-N
XLogP	1.97
TPSA	115.89 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide (CID 40786869) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide.

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

The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O.

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

The InChIKey is KNKMXGWHUQIJKO-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-15-10-11-17(33(31,32)26(2)3)13-19(15)24-20(28)14-27-21(29)23(25-22(27)30)12-6-8-16-7-4-5-9-18(16)23/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3,(H,24,28)(H,25,30)/t23-/m0/s1.

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

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 470.55 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 40786869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).