2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide

C19H19N3O3S — CID 55735649

IUPAC2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)c1
InChIInChI=1S/C19H19N3O3S/c1-11-7-8-14(26-3)10-15(11)16(23)20-13-6-4-5-12(9-13)19(2)17(24)21-18(25)22-19/h4-10H,1-3H3,(H,20,23)(H2,21,22,24,25)
InChIKeyALFZFQRVHXIYEI-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.02
Rot. Bonds4

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

2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide (PubChem CID 55735649) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide
PubChem CID55735649
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)c1
InChIInChI=1S/C19H19N3O3S/c1-11-7-8-14(26-3)10-15(11)16(23)20-13-6-4-5-12(9-13)19(2)17(24)21-18(25)22-19/h4-10H,1-3H3,(H,20,23)(H2,21,22,24,25)
InChIKeyALFZFQRVHXIYEI-UHFFFAOYSA-N
XLogP3.02
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-chloro-4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]benzamide
CID 154859735
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
CID 122159303
2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55962762
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-nitrobenzamide
CID 51951646
4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
CID 51949356
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
CID 51983587
5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide
CID 51951606
2-methoxy-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-nitrobenzamide
CID 55735610
2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
CID 119292140
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide (CID 55735649) is 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide is CSc1ccc(C)c(C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)c1.
What is the InChIKey of 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide?
The InChIKey is ALFZFQRVHXIYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-11-7-8-14(26-3)10-15(11)16(23)20-13-6-4-5-12(9-13)19(2)17(24)21-18(25)22-19/h4-10H,1-3H3,(H,20,23)(H2,21,22,24,25).
What are the key properties of 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide?
2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide has a molecular weight of 369.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 55735649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).