7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide

C26H23FN2O5S — CID 146851107

IUPAC7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCS(=O)(=O)CC4)cc2C3)cc1F
InChIInChI=1S/C26H23FN2O5S/c1-34-24-5-3-15(14-23(24)27)17-11-20-19-4-2-16(26(31)29-6-8-35(32,33)9-7-29)10-18(19)13-21(20)22(12-17)25(28)30/h2-5,10-12,14H,6-9,13H2,1H3,(H2,28,30)
InChIKeySIRKGADIDZUNOT-UHFFFAOYSA-N
MW494.54 g/mol
LogP3.04
Rot. Bonds4

About 7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide

7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide (PubChem CID 146851107) has the molecular formula C26H23FN2O5S and a molecular weight of 494.54 g/mol. Its IUPAC name is 7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide
PubChem CID146851107
Molecular FormulaC26H23FN2O5S
Molecular Weight494.54 g/mol
Exact Mass494.13
IUPAC Name7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCS(=O)(=O)CC4)cc2C3)cc1F
InChIInChI=1S/C26H23FN2O5S/c1-34-24-5-3-15(14-23(24)27)17-11-20-19-4-2-16(26(31)29-6-8-35(32,33)9-7-29)10-18(19)13-21(20)22(12-17)25(28)30/h2-5,10-12,14H,6-9,13H2,1H3,(H2,28,30)
InChIKeySIRKGADIDZUNOT-UHFFFAOYSA-N
XLogP3.04
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide with MolForge

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Related Compounds

3-(4-acetamidophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide
CID 160879979
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-(3-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 157375270
7-(morpholine-4-carbonyl)-3-(4-morpholin-4-ylphenyl)-9H-fluorene-1-carboxamide
CID 149273217
3-bromo-7-(4-methylpiperazine-1-carbonyl)-9H-fluorene-1-carboxamide
CID 153105516
3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 66604954
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79673450
3-(2-cyanopyrimidin-5-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 159940152
7-(morpholine-4-carbonyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)-9H-fluorene-1-carboxamide
CID 147925971
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
7-(morpholine-4-carbonyl)-3-(2-phenylmethoxypyrimidin-5-yl)-9H-fluorene-1-carboxamide
CID 148746011
3-(2-methyl-1,3-thiazol-4-yl)-7-(morpholine-4-carbonyl)-9H-fluorene-1-carboxamide
CID 152964048
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 110721410

Frequently Asked Questions

What is the IUPAC name of 7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide?
The IUPAC name of 7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide (CID 146851107) is 7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for 7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide?
The canonical SMILES for 7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide is COc1ccc(-c2cc(C(N)=O)c3c(c2)-c2ccc(C(=O)N4CCS(=O)(=O)CC4)cc2C3)cc1F.
What is the InChIKey of 7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide?
The InChIKey is SIRKGADIDZUNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O5S/c1-34-24-5-3-15(14-23(24)27)17-11-20-19-4-2-16(26(31)29-6-8-35(32,33)9-7-29)10-18(19)13-21(20)22(12-17)25(28)30/h2-5,10-12,14H,6-9,13H2,1H3,(H2,28,30).
What are the key properties of 7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide?
7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 146851107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).