N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide

C20H28N4O4S2 — CID 25335294

IUPACN-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1
InChIInChI=1S/C20H28N4O4S2/c1-4-8-30(26,27)23-17-7-5-6-16(9-17)19(25)22-20-21-18(13-29-20)12-24-10-14(2)28-15(3)11-24/h5-7,9,13-15,23H,4,8,10-12H2,1-3H3,(H,21,22,25)/t14-,15-/m0/s1
InChIKeyZNEPGKFMXZZCFY-GJZGRUSLSA-N
MW452.60 g/mol
LogP3.16
Rot. Bonds8

About N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide

N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide (PubChem CID 25335294) has the molecular formula C20H28N4O4S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide
PubChem CID25335294
Molecular FormulaC20H28N4O4S2
Molecular Weight452.60 g/mol
Exact Mass452.16
IUPAC NameN-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1
InChIInChI=1S/C20H28N4O4S2/c1-4-8-30(26,27)23-17-7-5-6-16(9-17)19(25)22-20-21-18(13-29-20)12-24-10-14(2)28-15(3)11-24/h5-7,9,13-15,23H,4,8,10-12H2,1-3H3,(H,21,22,25)/t14-,15-/m0/s1
InChIKeyZNEPGKFMXZZCFY-GJZGRUSLSA-N
XLogP3.16
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(dimethylamino)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 47018230
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
3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30184646
2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 55520784
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55790970
3-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 30189111
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 25496621
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 55510229
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide
CID 25466368
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 55507724
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 25487242

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide (CID 25335294) is N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1.
What is the InChIKey of N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide?
The InChIKey is ZNEPGKFMXZZCFY-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H28N4O4S2/c1-4-8-30(26,27)23-17-7-5-6-16(9-17)19(25)22-20-21-18(13-29-20)12-24-10-14(2)28-15(3)11-24/h5-7,9,13-15,23H,4,8,10-12H2,1-3H3,(H,21,22,25)/t14-,15-/m0/s1.
What are the key properties of N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide?
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide has a molecular weight of 452.60 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 25335294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).