N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide

C19H19N3O5S — CID 51949404

IUPACN-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide
SMILESC[C@]1(c2cccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)c2)NC(=O)NC1=O
InChIInChI=1S/C19H19N3O5S/c1-19(17(24)21-18(25)22-19)14-7-4-8-15(10-14)20-16(23)13-6-3-5-12(9-13)11-28(2,26)27/h3-10H,11H2,1-2H3,(H,20,23)(H2,21,22,24,25)/t19-/m1/s1
InChIKeyGCWPCUOWYGKVOX-LJQANCHMSA-N
MW401.44 g/mol
LogP1.54
Rot. Bonds5

About N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide

N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 51949404) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID51949404
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide
SMILESC[C@]1(c2cccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)c2)NC(=O)NC1=O
InChIInChI=1S/C19H19N3O5S/c1-19(17(24)21-18(25)22-19)14-7-4-8-15(10-14)20-16(23)13-6-3-5-12(9-13)11-28(2,26)27/h3-10H,11H2,1-2H3,(H,20,23)(H2,21,22,24,25)/t19-/m1/s1
InChIKeyGCWPCUOWYGKVOX-LJQANCHMSA-N
XLogP1.54
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
CID 51949356
4-ethoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-3-nitrobenzamide
CID 55735554
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
CID 154850134
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
3-(methylsulfonylmethyl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55862321
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
CID 122159303
5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide
CID 51951606
N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667578

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide (CID 51949404) is N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide is C[C@]1(c2cccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)c2)NC(=O)NC1=O.
What is the InChIKey of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is GCWPCUOWYGKVOX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-19(17(24)21-18(25)22-19)14-7-4-8-15(10-14)20-16(23)13-6-3-5-12(9-13)11-28(2,26)27/h3-10H,11H2,1-2H3,(H,20,23)(H2,21,22,24,25)/t19-/m1/s1.
What are the key properties of N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide?
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 401.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 51949404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).