N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

C22H29FN4O4S2 — CID 55507724

IUPACN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCC1CN(Cc2csc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)n2)CC(C)O1
InChIInChI=1S/C22H29FN4O4S2/c1-15-11-26(12-16(2)31-15)13-18-14-32-22(24-18)25-21(28)17-6-7-19(23)20(10-17)33(29,30)27-8-4-3-5-9-27/h6-7,10,14-16H,3-5,8-9,11-13H2,1-2H3,(H,24,25,28)
InChIKeyRMAGVDLFOANMAB-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.32
Rot. Bonds6

About N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55507724) has the molecular formula C22H29FN4O4S2 and a molecular weight of 496.63 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55507724
Molecular FormulaC22H29FN4O4S2
Molecular Weight496.63 g/mol
Exact Mass496.16
IUPAC NameN-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCC1CN(Cc2csc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)n2)CC(C)O1
InChIInChI=1S/C22H29FN4O4S2/c1-15-11-26(12-16(2)31-15)13-18-14-32-22(24-18)25-21(28)17-6-7-19(23)20(10-17)33(29,30)27-8-4-3-5-9-27/h6-7,10,14-16H,3-5,8-9,11-13H2,1-2H3,(H,24,25,28)
InChIKeyRMAGVDLFOANMAB-UHFFFAOYSA-N
XLogP3.32
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 46680057
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 25496621
4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 24611202
4-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 55507882
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 30197869
5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 60570943
4-chloro-N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 25487721
2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 55520784
3-(azepan-1-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680019
4-(difluoromethoxy)-N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 25487753
3-(dimethylamino)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 47018230
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55758579

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (CID 55507724) is N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is CC1CN(Cc2csc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)n2)CC(C)O1.
What is the InChIKey of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RMAGVDLFOANMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O4S2/c1-15-11-26(12-16(2)31-15)13-18-14-32-22(24-18)25-21(28)17-6-7-19(23)20(10-17)33(29,30)27-8-4-3-5-9-27/h6-7,10,14-16H,3-5,8-9,11-13H2,1-2H3,(H,24,25,28).
What are the key properties of N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 496.63 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55507724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).