8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide

C21H24N2O6S2 — CID 167956291

IUPAC8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C1CC2(CCS(=O)(=O)CC2)CN1
InChIInChI=1S/C21H24N2O6S2/c24-20(19-14-21(15-22-19)10-12-30(25,26)13-11-21)23-31(27,28)18-8-6-17(7-9-18)29-16-4-2-1-3-5-16/h1-9,19,22H,10-15H2,(H,23,24)
InChIKeyNTZMDKWDYDROKD-UHFFFAOYSA-N
MW464.57 g/mol
LogP1.84
Rot. Bonds5

About 8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide

8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide (PubChem CID 167956291) has the molecular formula C21H24N2O6S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide
PubChem CID167956291
Molecular FormulaC21H24N2O6S2
Molecular Weight464.57 g/mol
Exact Mass464.11
IUPAC Name8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C1CC2(CCS(=O)(=O)CC2)CN1
InChIInChI=1S/C21H24N2O6S2/c24-20(19-14-21(15-22-19)10-12-30(25,26)13-11-21)23-31(27,28)18-8-6-17(7-9-18)29-16-4-2-1-3-5-16/h1-9,19,22H,10-15H2,(H,23,24)
InChIKeyNTZMDKWDYDROKD-UHFFFAOYSA-N
XLogP1.84
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679369
N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902404
1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea
CID 163582481
4-phenoxy-N-(4-phenylphenyl)sulfonylbenzamide
CID 53473228
(3aS,6aR)-N-(benzenesulfonyl)-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide
CID 166291996
N-(4-azaspiro[2.5]octan-7-yl)-4-phenoxybenzenesulfonamide
CID 166269430
6,6-dimethyl-N-(4-phenoxyphenyl)sulfonyl-5,7-dihydro-4H-1-benzothiophene-3-carboxamide
CID 166323322
1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea
CID 12505124
N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide
CID 22707846
(2R)-N-(4-phenoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671696
cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid
CID 70218691
2,2-diethyl-N'-(4-phenoxyphenyl)sulfonylpropanediamide
CID 68508410

Frequently Asked Questions

What is the IUPAC name of 8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide (CID 167956291) is 8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide is O=C(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C1CC2(CCS(=O)(=O)CC2)CN1.
What is the InChIKey of 8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is NTZMDKWDYDROKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S2/c24-20(19-14-21(15-22-19)10-12-30(25,26)13-11-21)23-31(27,28)18-8-6-17(7-9-18)29-16-4-2-1-3-5-16/h1-9,19,22H,10-15H2,(H,23,24).
What are the key properties of 8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide?
8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dioxo-N-(4-phenoxyphenyl)sulfonyl-8λ6-thia-2-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 167956291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).