2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide

C25H32N4O4S — CID 3249617

IUPAC2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C25H32N4O4S/c1-3-26(4-2)23(30)19-27-20-29(21-11-7-5-8-12-21)25(24(27)31)15-17-28(18-16-25)34(32,33)22-13-9-6-10-14-22/h5-14H,3-4,15-20H2,1-2H3
InChIKeyTYLWQQWEBYWBHS-UHFFFAOYSA-N
MW484.62 g/mol
LogP2.38
Rot. Bonds7

About 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide

2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide (PubChem CID 3249617) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide
PubChem CID3249617
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Name2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
InChIInChI=1S/C25H32N4O4S/c1-3-26(4-2)23(30)19-27-20-29(21-11-7-5-8-12-21)25(24(27)31)15-17-28(18-16-25)34(32,33)22-13-9-6-10-14-22/h5-14H,3-4,15-20H2,1-2H3
InChIKeyTYLWQQWEBYWBHS-UHFFFAOYSA-N
XLogP2.38
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-(benzenesulfonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 5001524
2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide
CID 4104485
2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide
CID 3537703
N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 4555091
N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 6020296
N-benzyl-2-[8-(4-methylphenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 4028217
2-[8-(4-fluorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-methylbutyl)acetamide
CID 4132621
8-(4-tert-butylphenyl)sulfonyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 4114654
3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 4089717
N-butan-2-yl-2-(8-naphthalen-2-ylsulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 5021406
N-benzyl-2-[8-(2,5-dichlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 4132617
N-(cyclohexylmethyl)-2-[8-(4-nitrophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 4207290

Frequently Asked Questions

What is the IUPAC name of 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide (CID 3249617) is 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3ccccc3)CC2)C1=O.
What is the InChIKey of 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide?
The InChIKey is TYLWQQWEBYWBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-3-26(4-2)23(30)19-27-20-29(21-11-7-5-8-12-21)25(24(27)31)15-17-28(18-16-25)34(32,33)22-13-9-6-10-14-22/h5-14H,3-4,15-20H2,1-2H3.
What are the key properties of 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide?
2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide has a molecular weight of 484.62 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide is sourced from PubChem (CID 3249617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).