N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

C16H17N3O3S — CID 74230305

IUPACN-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
SMILESCN1C(=O)C(CC(=O)NCc2ccc3sccc3c2)N(C)C1=O
InChIInChI=1S/C16H17N3O3S/c1-18-12(15(21)19(2)16(18)22)8-14(20)17-9-10-3-4-13-11(7-10)5-6-23-13/h3-7,12H,8-9H2,1-2H3,(H,17,20)
InChIKeyKNTMKBUYVKZSTD-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.80
Rot. Bonds4

About N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide (PubChem CID 74230305) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
PubChem CID74230305
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
SMILESCN1C(=O)C(CC(=O)NCc2ccc3sccc3c2)N(C)C1=O
InChIInChI=1S/C16H17N3O3S/c1-18-12(15(21)19(2)16(18)22)8-14(20)17-9-10-3-4-13-11(7-10)5-6-23-13/h3-7,12H,8-9H2,1-2H3,(H,17,20)
InChIKeyKNTMKBUYVKZSTD-UHFFFAOYSA-N
XLogP1.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.80
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-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 74246446
N-(1-benzothiophen-5-ylmethyl)-2-[(2S)-morpholin-2-yl]acetamide
CID 99940782
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 97156487
2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 97118508
N-(1-benzothiophen-5-ylmethyl)-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 131894725
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 97120000
N-(2-acetamidophenyl)-2-(1-benzothiophen-5-ylmethylamino)acetamide
CID 50973532
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 97134428
3-[1-benzothiophen-5-ylmethylcarbamoyl(methyl)amino]propanoic acid
CID 122014671
N-(1-benzothiophen-5-ylmethyl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131922995
4-(1-benzothiophen-5-ylmethylcarbamoylamino)butanoic acid
CID 122014668
(2S)-N-(1-benzothiophen-5-ylmethyl)-1,4-dioxane-2-carboxamide
CID 125143390

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide?
The IUPAC name of N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide (CID 74230305) is N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide.
What is the SMILES notation for N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide?
The canonical SMILES for N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide is CN1C(=O)C(CC(=O)NCc2ccc3sccc3c2)N(C)C1=O.
What is the InChIKey of N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide?
The InChIKey is KNTMKBUYVKZSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-18-12(15(21)19(2)16(18)22)8-14(20)17-9-10-3-4-13-11(7-10)5-6-23-13/h3-7,12H,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide?
N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-ylmethyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide is sourced from PubChem (CID 74230305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).