N-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide

C21H32N4O5S — CID 98387592

IUPACN-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cccc(NS(=O)(=O)CCC)c2)C1=O
InChIInChI=1S/C21H32N4O5S/c1-4-6-7-8-9-13-21(3)19(27)25(20(28)22-21)23-18(26)16-11-10-12-17(15-16)24-31(29,30)14-5-2/h10-12,15,24H,4-9,13-14H2,1-3H3,(H,22,28)(H,23,26)/t21-/m1/s1
InChIKeyPQTCTRYKNZXOFI-OAQYLSRUSA-N
MW452.58 g/mol
LogP3.15
Rot. Bonds12

About N-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide

N-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide (PubChem CID 98387592) has the molecular formula C21H32N4O5S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide
PubChem CID98387592
Molecular FormulaC21H32N4O5S
Molecular Weight452.58 g/mol
Exact Mass452.21
IUPAC NameN-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cccc(NS(=O)(=O)CCC)c2)C1=O
InChIInChI=1S/C21H32N4O5S/c1-4-6-7-8-9-13-21(3)19(27)25(20(28)22-21)23-18(26)16-11-10-12-17(15-16)24-31(29,30)14-5-2/h10-12,15,24H,4-9,13-14H2,1-3H3,(H,22,28)(H,23,26)/t21-/m1/s1
InChIKeyPQTCTRYKNZXOFI-OAQYLSRUSA-N
XLogP3.15
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 98369094
3-(octylsulfonylamino)benzoic acid
CID 152726076
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 16564815
N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 46411069
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
CID 55660410
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
CID 40972041
N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
CID 119393786
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 4810361
N-(2,5-dihydroxyphenyl)-3-(hexadecylsulfonylamino)benzamide
CID 19763169
N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]octane-1-sulfonamide
CID 6075879
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide (CID 98387592) is N-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide is CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cccc(NS(=O)(=O)CCC)c2)C1=O.
What is the InChIKey of N-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide?
The InChIKey is PQTCTRYKNZXOFI-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H32N4O5S/c1-4-6-7-8-9-13-21(3)19(27)25(20(28)22-21)23-18(26)16-11-10-12-17(15-16)24-31(29,30)14-5-2/h10-12,15,24H,4-9,13-14H2,1-3H3,(H,22,28)(H,23,26)/t21-/m1/s1.
What are the key properties of N-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide?
N-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide has a molecular weight of 452.58 g/mol, XLogP of 3.15, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 98387592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).