2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide

C16H19N3O3S — CID 41089149

IUPAC2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1
InChIInChI=1S/C16H19N3O3S/c1-16(10-6-7-10)14(21)19(15(22)18-16)9-13(20)17-11-4-3-5-12(8-11)23-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,20)(H,18,22)/t16-/m0/s1
InChIKeyNORXNJPKMKIBBA-INIZCTEOSA-N
MW333.41 g/mol
LogP2.07
Rot. Bonds5

About 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide

2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 41089149) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID41089149
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1
InChIInChI=1S/C16H19N3O3S/c1-16(10-6-7-10)14(21)19(15(22)18-16)9-13(20)17-11-4-3-5-12(8-11)23-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,20)(H,18,22)/t16-/m0/s1
InChIKeyNORXNJPKMKIBBA-INIZCTEOSA-N
XLogP2.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 30932708
methyl 3-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
CID 16557283
2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 2701920
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 55310113
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 41102906
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-thiophen-3-ylacetamide
CID 97021772
2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7595882
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7179860
N-(4-amino-3,5-dichlorophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46665102
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16557047
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide
CID 136549427
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-iodophenyl)acetamide
CID 16557019

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide (CID 41089149) is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1.
What is the InChIKey of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is NORXNJPKMKIBBA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-16(10-6-7-10)14(21)19(15(22)18-16)9-13(20)17-11-4-3-5-12(8-11)23-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,20)(H,18,22)/t16-/m0/s1.
What are the key properties of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 41089149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).