N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

C22H29N3O4S2 — CID 55412648

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCc3sccc3C2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H29N3O4S2/c1-16-18-9-13-30-20(18)8-12-24(16)15-22(26)23-17-6-7-19(29-2)21(14-17)31(27,28)25-10-4-3-5-11-25/h6-7,9,13-14,16H,3-5,8,10-12,15H2,1-2H3,(H,23,26)
InChIKeyYEORLKILYOYLHI-UHFFFAOYSA-N
MW463.63 g/mol
LogP3.49
Rot. Bonds6

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 55412648) has the molecular formula C22H29N3O4S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID55412648
Molecular FormulaC22H29N3O4S2
Molecular Weight463.63 g/mol
Exact Mass463.16
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCc3sccc3C2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H29N3O4S2/c1-16-18-9-13-30-20(18)8-12-24(16)15-22(26)23-17-6-7-19(29-2)21(14-17)31(27,28)25-10-4-3-5-11-25/h6-7,9,13-14,16H,3-5,8,10-12,15H2,1-2H3,(H,23,26)
InChIKeyYEORLKILYOYLHI-UHFFFAOYSA-N
XLogP3.49
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 42999312
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CID 26851836
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903716
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
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CID 8875638
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrazol-1-ylacetamide
CID 39723835
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CID 7917108
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 41101632
N-(4-fluorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999657
N-(4-iodophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999831
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (CID 55412648) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is COc1ccc(NC(=O)CN2CCc3sccc3C2C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is YEORLKILYOYLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S2/c1-16-18-9-13-30-20(18)8-12-24(16)15-22(26)23-17-6-7-19(29-2)21(14-17)31(27,28)25-10-4-3-5-11-25/h6-7,9,13-14,16H,3-5,8,10-12,15H2,1-2H3,(H,23,26).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 463.63 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 55412648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).