4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

C21H24FN3O4S — CID 46836898

IUPAC4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCOC12CCN(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C21H24FN3O4S/c1-16-15-17(22)7-8-19(16)30(27,28)25-13-14-29-21(25)9-11-24(12-10-21)20(26)23-18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,23,26)
InChIKeyLEACUKVGFDRUBK-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.18
Rot. Bonds3

About 4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 46836898) has the molecular formula C21H24FN3O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID46836898
Molecular FormulaC21H24FN3O4S
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC Name4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCOC12CCN(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C21H24FN3O4S/c1-16-15-17(22)7-8-19(16)30(27,28)25-13-14-29-21(25)9-11-24(12-10-21)20(26)23-18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,23,26)
InChIKeyLEACUKVGFDRUBK-UHFFFAOYSA-N
XLogP3.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 135144027
1-(3-(Morpholinosulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24894570
1-(4-(Morpholinosulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24894571
N-(2-morpholinoethyl)-4-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulfonamide
CID 24894561
N-Phenyl-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 45555989
4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 57403243
N,N-dimethyl-N-{4-[1-[(4-methylphenyl)sulfonyl]-3-(morpholin-4-ylcarbonyl)imidazolidin-2-yl]phenyl}amine
CID 3245341
N,N-dimethyl-N-{4-[1-(morpholin-4-ylcarbonyl)-3-(phenylsulfonyl)imidazolidin-2-yl]phenyl}amine
CID 3245880
N-[3-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]morpholine-4-carboxamide
CID 52941279
N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]morpholine-4-carboxamide
CID 52948583
(6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 70687123
(6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 70687129

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 46836898) is 4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is Cc1cc(F)ccc1S(=O)(=O)N1CCOC12CCN(C(=O)Nc1ccccc1)CC2.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is LEACUKVGFDRUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4S/c1-16-15-17(22)7-8-19(16)30(27,28)25-13-14-29-21(25)9-11-24(12-10-21)20(26)23-18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,23,26).
What are the key properties of 4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)sulfonyl-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 46836898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).