N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide

C23H31N3O4S2 — CID 55622785

IUPACN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide
SMILESCC1CCN(C(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c2cccs2)CC1
InChIInChI=1S/C23H31N3O4S2/c1-18-8-10-25(11-9-18)20(21-6-4-16-31-21)17-24-23(27)19-5-2-3-7-22(19)32(28,29)26-12-14-30-15-13-26/h2-7,16,18,20H,8-15,17H2,1H3,(H,24,27)
InChIKeyFKUHXGMBZXAAMG-UHFFFAOYSA-N
MW477.65 g/mol
LogP2.97
Rot. Bonds7

About N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide (PubChem CID 55622785) has the molecular formula C23H31N3O4S2 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide
PubChem CID55622785
Molecular FormulaC23H31N3O4S2
Molecular Weight477.65 g/mol
Exact Mass477.18
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide
SMILESCC1CCN(C(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c2cccs2)CC1
InChIInChI=1S/C23H31N3O4S2/c1-18-8-10-25(11-9-18)20(21-6-4-16-31-21)17-24-23(27)19-5-2-3-7-22(19)32(28,29)26-12-14-30-15-13-26/h2-7,16,18,20H,8-15,17H2,1H3,(H,24,27)
InChIKeyFKUHXGMBZXAAMG-UHFFFAOYSA-N
XLogP2.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
CID 119946151
2-methoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006364
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 25335311
2-(difluoromethylsulfanyl)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 30524422
2-(methanesulfonamido)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 42940388
N-(2-morpholin-4-yl-2-phenylethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 55574957
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438
5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 47044623
2-chloro-4-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006400
2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-5-sulfamoylbenzamide
CID 24639911
3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 52909875

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide (CID 55622785) is N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide is CC1CCN(C(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c2cccs2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FKUHXGMBZXAAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S2/c1-18-8-10-25(11-9-18)20(21-6-4-16-31-21)17-24-23(27)19-5-2-3-7-22(19)32(28,29)26-12-14-30-15-13-26/h2-7,16,18,20H,8-15,17H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide?
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide has a molecular weight of 477.65 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55622785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).