N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide

C18H19N3O4S — CID 52507734

IUPACN-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O
InChIInChI=1S/C18H19N3O4S/c1-11-4-5-14(25-3)13(8-11)19-15(22)9-21-16(23)18(2,20-17(21)24)12-6-7-26-10-12/h4-8,10H,9H2,1-3H3,(H,19,22)(H,20,24)/t18-/m1/s1
InChIKeyAMERDAGVCOOSMV-GOSISDBHSA-N
MW373.43 g/mol
LogP2.47
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide

N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide (PubChem CID 52507734) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
PubChem CID52507734
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O
InChIInChI=1S/C18H19N3O4S/c1-11-4-5-14(25-3)13(8-11)19-15(22)9-21-16(23)18(2,20-17(21)24)12-6-7-26-10-12/h4-8,10H,9H2,1-3H3,(H,19,22)(H,20,24)/t18-/m1/s1
InChIKeyAMERDAGVCOOSMV-GOSISDBHSA-N
XLogP2.47
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.47
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-(2,5-dimethoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581820
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17450041
N-(2-methoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582081
N-(3-chloro-2-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52508832
N-(3-chloro-2-methylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52508833
N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 47092908
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18292290
N-(2,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16547541
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2582592
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 2577245
N-(2-methoxy-5-methylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579596
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 42986255

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide (CID 52507734) is N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide is COc1ccc(C)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccsc2)C1=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide?
The InChIKey is AMERDAGVCOOSMV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11-4-5-14(25-3)13(8-11)19-15(22)9-21-16(23)18(2,20-17(21)24)12-6-7-26-10-12/h4-8,10H,9H2,1-3H3,(H,19,22)(H,20,24)/t18-/m1/s1.
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 52507734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).