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

C14H17N3O3S — CID 87022837

IUPAC2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C14H17N3O3S/c1-9-4-5-21-11(9)6-15-12(18)7-17-13(19)8-16(14(17)20)10-2-3-10/h4-5,10H,2-3,6-8H2,1H3,(H,15,18)
InChIKeyCRPQTOGLUFXDOW-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.10
Rot. Bonds5

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

2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 87022837) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID87022837
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C14H17N3O3S/c1-9-4-5-21-11(9)6-15-12(18)7-17-13(19)8-16(14(17)20)10-2-3-10/h4-5,10H,2-3,6-8H2,1H3,(H,15,18)
InChIKeyCRPQTOGLUFXDOW-UHFFFAOYSA-N
XLogP1.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 87022512
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 87022462
2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 110898342
N-cyclopropyl-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022402
2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 119920391
1-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909191
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 87022541
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32990360
N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 32957981
N-[(1R,2R,4S)-7-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-propan-2-ylcyclopropane-1-carboxamide
CID 154773359
N-(2-chlorophenyl)-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022378
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 87022436

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 87022837) is 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)CN1C(=O)CN(C2CC2)C1=O.
What is the InChIKey of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is CRPQTOGLUFXDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-4-5-21-11(9)6-15-12(18)7-17-13(19)8-16(14(17)20)10-2-3-10/h4-5,10H,2-3,6-8H2,1H3,(H,15,18).
What are the key properties of 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 307.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 87022837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).