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

C24H28N4O5S — CID 40795250

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C24H28N4O5S/c1-16-11-12-18(14-20(16)34(32,33)27(2)3)25-21(29)15-28-22(30)24(26-23(28)31)13-7-6-9-17-8-4-5-10-19(17)24/h4-5,8,10-12,14H,6-7,9,13,15H2,1-3H3,(H,25,29)(H,26,31)/t24-/m1/s1
InChIKeyUWJUOLHIVJHENY-XMMPIXPASA-N
MW484.58 g/mol
LogP2.36
Rot. Bonds5

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

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 40795250) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
PubChem CID40795250
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C24H28N4O5S/c1-16-11-12-18(14-20(16)34(32,33)27(2)3)25-21(29)15-28-22(30)24(26-23(28)31)13-7-6-9-17-8-4-5-10-19(17)24/h4-5,8,10-12,14H,6-7,9,13,15H2,1-3H3,(H,25,29)(H,26,31)/t24-/m1/s1
InChIKeyUWJUOLHIVJHENY-XMMPIXPASA-N
XLogP2.36
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.36
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-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 40829010
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4857900
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 43027998
N-[3-(dimethylsulfamoyl)phenyl]-2-[(5S)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
CID 41209061
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 25300679
N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16559490
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
N-(4-acetamidophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168506
N-(4-bromo-3-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 16552825
N-(3,4-dichlorophenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4810149
N-(3,4-difluorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2706022

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of 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) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5R)-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)-4-methylphenyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide is Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is UWJUOLHIVJHENY-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-16-11-12-18(14-20(16)34(32,33)27(2)3)25-21(29)15-28-22(30)24(26-23(28)31)13-7-6-9-17-8-4-5-10-19(17)24/h4-5,8,10-12,14H,6-7,9,13,15H2,1-3H3,(H,25,29)(H,26,31)/t24-/m1/s1.
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 484.58 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 40795250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).