3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide

C22H31N3O4S3 — CID 52909875

IUPAC3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
SMILESC[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccsc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C22H31N3O4S3/c1-16-5-3-6-17(2)25(16)32(27,28)20-8-14-31-21(20)22(26)23-15-18(19-7-4-13-30-19)24-9-11-29-12-10-24/h4,7-8,13-14,16-18H,3,5-6,9-12,15H2,1-2H3,(H,23,26)/t16-,17-,18+/m1/s1
InChIKeyWFRDTKNFHQGANC-KURKYZTESA-N
MW497.71 g/mol
LogP3.56
Rot. Bonds7

About 3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide

3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide (PubChem CID 52909875) has the molecular formula C22H31N3O4S3 and a molecular weight of 497.71 g/mol. Its IUPAC name is 3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
PubChem CID52909875
Molecular FormulaC22H31N3O4S3
Molecular Weight497.71 g/mol
Exact Mass497.15
IUPAC Name3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
SMILESC[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccsc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C22H31N3O4S3/c1-16-5-3-6-17(2)25(16)32(27,28)20-8-14-31-21(20)22(26)23-15-18(19-7-4-13-30-19)24-9-11-29-12-10-24/h4,7-8,13-14,16-18H,3,5-6,9-12,15H2,1-2H3,(H,23,26)/t16-,17-,18+/m1/s1
InChIKeyWFRDTKNFHQGANC-KURKYZTESA-N
XLogP3.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55610163
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55622785
4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 51712274
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55642193
3-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 4501315
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46522611
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
2-(methanesulfonamido)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 25335311
3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984959
2-(methanesulfonamido)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 42940388

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide (CID 52909875) is 3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide is C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccsc1C(=O)NC[C@@H](c1cccs1)N1CCOCC1.
What is the InChIKey of 3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
The InChIKey is WFRDTKNFHQGANC-KURKYZTESA-N. The full InChI is InChI=1S/C22H31N3O4S3/c1-16-5-3-6-17(2)25(16)32(27,28)20-8-14-31-21(20)22(26)23-15-18(19-7-4-13-30-19)24-9-11-29-12-10-24/h4,7-8,13-14,16-18H,3,5-6,9-12,15H2,1-2H3,(H,23,26)/t16-,17-,18+/m1/s1.
What are the key properties of 3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide?
3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide has a molecular weight of 497.71 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 52909875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).