N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide

C20H21N3O4S — CID 9166737

IUPACN-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide
SMILESCOc1ccc([C@]2(C)NC(=O)N(NC(=O)c3ccc(CSC)cc3)C2=O)cc1
InChIInChI=1S/C20H21N3O4S/c1-20(15-8-10-16(27-2)11-9-15)18(25)23(19(26)21-20)22-17(24)14-6-4-13(5-7-14)12-28-3/h4-11H,12H2,1-3H3,(H,21,26)(H,22,24)/t20-/m0/s1
InChIKeyWKWTXPWWZDRKAH-FQEVSTJZSA-N
MW399.47 g/mol
LogP2.67
Rot. Bonds6

About N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide

N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 9166737) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide
PubChem CID9166737
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide
SMILESCOc1ccc([C@]2(C)NC(=O)N(NC(=O)c3ccc(CSC)cc3)C2=O)cc1
InChIInChI=1S/C20H21N3O4S/c1-20(15-8-10-16(27-2)11-9-15)18(25)23(19(26)21-20)22-17(24)14-6-4-13(5-7-14)12-28-3/h4-11H,12H2,1-3H3,(H,21,26)(H,22,24)/t20-/m0/s1
InChIKeyWKWTXPWWZDRKAH-FQEVSTJZSA-N
XLogP2.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.67
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

4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55902374
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 166185719
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42927432
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55542313
(4-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8793202
methyl 4-[[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
CID 4805307
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43004534
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24565024
2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 24568484
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide
CID 84861598
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42885091
N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 25351275

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide (CID 9166737) is N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide is COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3ccc(CSC)cc3)C2=O)cc1.
What is the InChIKey of N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is WKWTXPWWZDRKAH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-20(15-8-10-16(27-2)11-9-15)18(25)23(19(26)21-20)22-17(24)14-6-4-13(5-7-14)12-28-3/h4-11H,12H2,1-3H3,(H,21,26)(H,22,24)/t20-/m0/s1.
What are the key properties of N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide?
N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 399.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 9166737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).