N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide

C23H26N4O5S — CID 41209061

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1
InChIInChI=1S/C23H26N4O5S/c1-26(2)33(31,32)18-11-7-10-17(14-18)24-20(28)15-27-21(29)23(25-22(27)30)13-6-5-9-16-8-3-4-12-19(16)23/h3-4,7-8,10-12,14H,5-6,9,13,15H2,1-2H3,(H,24,28)(H,25,30)/t23-/m0/s1
InChIKeySREQUWGGTBLVPD-QHCPKHFHSA-N
MW470.55 g/mol
LogP2.05
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 41209061) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
PubChem CID41209061
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1
InChIInChI=1S/C23H26N4O5S/c1-26(2)33(31,32)18-11-7-10-17(14-18)24-20(28)15-27-21(29)23(25-22(27)30)13-6-5-9-16-8-3-4-12-19(16)23/h3-4,7-8,10-12,14H,5-6,9,13,15H2,1-2H3,(H,24,28)(H,25,30)/t23-/m0/s1
InChIKeySREQUWGGTBLVPD-QHCPKHFHSA-N
XLogP2.05
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
CID 40795250
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 40829010
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 40786869
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 42964281
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 41119093
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 43027998
N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16544882
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(3-fluorophenyl)acetamide
CID 2706138
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide
CID 4810208
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(3-methoxyphenyl)acetamide
CID 2706003
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(3-ethylphenyl)acetamide
CID 16546281
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(3-fluorophenyl)acetamide
CID 24979383

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide (CID 41209061) is N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is SREQUWGGTBLVPD-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-26(2)33(31,32)18-11-7-10-17(14-18)24-20(28)15-27-21(29)23(25-22(27)30)13-6-5-9-16-8-3-4-12-19(16)23/h3-4,7-8,10-12,14H,5-6,9,13,15H2,1-2H3,(H,24,28)(H,25,30)/t23-/m0/s1.
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 470.55 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 41209061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).