2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide

C18H19N3O3S2 — CID 24643529

IUPAC2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1ccsc1)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C18H19N3O3S2/c22-16-9-20-18(24)21(16)10-14-3-1-2-4-15(14)17(23)19-6-8-26-12-13-5-7-25-11-13/h1-5,7,11H,6,8-10,12H2,(H,19,23)(H,20,24)
InChIKeyQLECDBJZXDKDJW-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.46
Rot. Bonds8

About 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide (PubChem CID 24643529) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide
PubChem CID24643529
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1ccsc1)c1ccccc1CN1C(=O)CNC1=O
InChIInChI=1S/C18H19N3O3S2/c22-16-9-20-18(24)21(16)10-14-3-1-2-4-15(14)17(23)19-6-8-26-12-13-5-7-25-11-13/h1-5,7,11H,6,8-10,12H2,(H,19,23)(H,20,24)
InChIKeyQLECDBJZXDKDJW-UHFFFAOYSA-N
XLogP2.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 35052429
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-pentylbenzamide
CID 17435485
2-N,6-N-bis[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyridine-2,6-dicarboxamide
CID 39044507
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18137040
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 56555313
3-methyl-4-oxo-2-sulfanylidene-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-1H-quinazoline-7-carboxamide
CID 24551793
N-(1H-benzimidazol-2-ylmethyl)-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 18135800
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 17456860
3-[[2-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 18135535
N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18139065
2-(methylamino)-5-nitro-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide
CID 24532862
2-[2-(methylamino)ethyl]-N-(2-thiophen-3-ylethyl)benzamide
CID 104547749

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide?
The IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide (CID 24643529) is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide?
The canonical SMILES for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide is O=C(NCCSCc1ccsc1)c1ccccc1CN1C(=O)CNC1=O.
What is the InChIKey of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide?
The InChIKey is QLECDBJZXDKDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c22-16-9-20-18(24)21(16)10-14-3-1-2-4-15(14)17(23)19-6-8-26-12-13-5-7-25-11-13/h1-5,7,11H,6,8-10,12H2,(H,19,23)(H,20,24).
What are the key properties of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide?
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 24643529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).