2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide

C16H21N3O4S — CID 91763986

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide
SMILESCC1(C)NC(=O)N(CC(=O)NC(c2cccs2)C2CC(O)C2)C1=O
InChIInChI=1S/C16H21N3O4S/c1-16(2)14(22)19(15(23)18-16)8-12(21)17-13(9-6-10(20)7-9)11-4-3-5-24-11/h3-5,9-10,13,20H,6-8H2,1-2H3,(H,17,21)(H,18,23)
InChIKeyDZTYTUVJYKBEFD-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.01
Rot. Bonds5

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 91763986) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide
PubChem CID91763986
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide
SMILESCC1(C)NC(=O)N(CC(=O)NC(c2cccs2)C2CC(O)C2)C1=O
InChIInChI=1S/C16H21N3O4S/c1-16(2)14(22)19(15(23)18-16)8-12(21)17-13(9-6-10(20)7-9)11-4-3-5-24-11/h3-5,9-10,13,20H,6-8H2,1-2H3,(H,17,21)(H,18,23)
InChIKeyDZTYTUVJYKBEFD-UHFFFAOYSA-N
XLogP1.01
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 18775060
N-[cyclohexyl(phenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 71685791
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 97021767
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 84601357
N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288712
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
CID 91770832
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7618772
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7618766
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7266427
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-phenylethyl)acetamide
CID 51139063
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide
CID 91764411
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
CID 91779224

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide (CID 91763986) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide is CC1(C)NC(=O)N(CC(=O)NC(c2cccs2)C2CC(O)C2)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is DZTYTUVJYKBEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-16(2)14(22)19(15(23)18-16)8-12(21)17-13(9-6-10(20)7-9)11-4-3-5-24-11/h3-5,9-10,13,20H,6-8H2,1-2H3,(H,17,21)(H,18,23).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 351.43 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 91763986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).