N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C18H21N5O3S — CID 7247473

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)[nH]c2c1
InChIInChI=1S/C18H21N5O3S/c1-11-5-6-12-13(9-11)20-16(19-12)27-10-14(24)22-23-15(25)18(21-17(23)26)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20)(H,21,26)(H,22,24)
InChIKeyWQUUACPFWYFHJI-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.25
Rot. Bonds4

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 7247473) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID7247473
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)[nH]c2c1
InChIInChI=1S/C18H21N5O3S/c1-11-5-6-12-13(9-11)20-16(19-12)27-10-14(24)22-23-15(25)18(21-17(23)26)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20)(H,21,26)(H,22,24)
InChIKeyWQUUACPFWYFHJI-UHFFFAOYSA-N
XLogP2.25
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.25
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

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N-[(2S)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
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CID 17325035
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
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N-(1,1-dioxothian-4-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 7247473) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is Cc1ccc2nc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)[nH]c2c1.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is WQUUACPFWYFHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-11-5-6-12-13(9-11)20-16(19-12)27-10-14(24)22-23-15(25)18(21-17(23)26)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20)(H,21,26)(H,22,24).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 387.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7247473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).