N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide

C17H23N3O3S — CID 78852295

IUPACN-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)N(Cc2cccs2)C2CC2)C1=O
InChIInChI=1S/C17H23N3O3S/c1-17(2)15(22)19(16(23)18-17)9-3-6-14(21)20(12-7-8-12)11-13-5-4-10-24-13/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,18,23)
InChIKeyKWWMKJPGAGGLAF-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.35
Rot. Bonds7

About N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide

N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 78852295) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID78852295
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)N(Cc2cccs2)C2CC2)C1=O
InChIInChI=1S/C17H23N3O3S/c1-17(2)15(22)19(16(23)18-17)9-3-6-14(21)20(12-7-8-12)11-13-5-4-10-24-13/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,18,23)
InChIKeyKWWMKJPGAGGLAF-UHFFFAOYSA-N
XLogP2.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.35
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

3-[3-[cyclopropyl(thiophen-2-ylmethyl)amino]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47054834
N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 24549331
N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119715445
N-cyclopropyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 55581868
N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide
CID 134004464
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 18109840
N-cyclopropyl-2-(2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 86985290
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 39968065
N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 157468797
5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 35429886
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(1-methylpiperidin-4-yl)butanamide
CID 46978915
N-cyclopropyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 42953421

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide (CID 78852295) is N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide is CC1(C)NC(=O)N(CCCC(=O)N(Cc2cccs2)C2CC2)C1=O.
What is the InChIKey of N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is KWWMKJPGAGGLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-17(2)15(22)19(16(23)18-17)9-3-6-14(21)20(12-7-8-12)11-13-5-4-10-24-13/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,18,23).
What are the key properties of N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide?
N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 349.46 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 78852295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).