2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide

C25H32N4O4S — CID 4568294

IUPAC2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC(C)C)CN3c2ccccc2)cc1
InChIInChI=1S/C25H32N4O4S/c1-19(2)26-23(30)17-27-18-29(21-7-5-4-6-8-21)25(24(27)31)13-15-28(16-14-25)34(32,33)22-11-9-20(3)10-12-22/h4-12,19H,13-18H2,1-3H3,(H,26,30)
InChIKeyWPIDFSAQELFAON-UHFFFAOYSA-N
MW484.62 g/mol
LogP2.35
Rot. Bonds6

About 2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide

2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide (PubChem CID 4568294) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
PubChem CID4568294
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Name2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC(C)C)CN3c2ccccc2)cc1
InChIInChI=1S/C25H32N4O4S/c1-19(2)26-23(30)17-27-18-29(21-7-5-4-6-8-21)25(24(27)31)13-15-28(16-14-25)34(32,33)22-11-9-20(3)10-12-22/h4-12,19H,13-18H2,1-3H3,(H,26,30)
InChIKeyWPIDFSAQELFAON-UHFFFAOYSA-N
XLogP2.35
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide (CID 4568294) is 2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide is Cc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC(C)C)CN3c2ccccc2)cc1.
What is the InChIKey of 2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?
The InChIKey is WPIDFSAQELFAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-19(2)26-23(30)17-27-18-29(21-7-5-4-6-8-21)25(24(27)31)13-15-28(16-14-25)34(32,33)22-11-9-20(3)10-12-22/h4-12,19H,13-18H2,1-3H3,(H,26,30).
What are the key properties of 2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?
2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide has a molecular weight of 484.62 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 4568294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).