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

C23H31N3O3S2 — CID 46400297

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCC(C)N2CCc3sccc3C2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H31N3O3S2/c1-17-6-7-19(14-22(17)31(28,29)26-10-4-3-5-11-26)23(27)24-15-18(2)25-12-8-21-20(16-25)9-13-30-21/h6-7,9,13-14,18H,3-5,8,10-12,15-16H2,1-2H3,(H,24,27)
InChIKeyIICYMQFFVBPBJT-UHFFFAOYSA-N
MW461.65 g/mol
LogP3.41
Rot. Bonds6

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

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 46400297) has the molecular formula C23H31N3O3S2 and a molecular weight of 461.65 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID46400297
Molecular FormulaC23H31N3O3S2
Molecular Weight461.65 g/mol
Exact Mass461.18
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCC(C)N2CCc3sccc3C2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H31N3O3S2/c1-17-6-7-19(14-22(17)31(28,29)26-10-4-3-5-11-26)23(27)24-15-18(2)25-12-8-21-20(16-25)9-13-30-21/h6-7,9,13-14,18H,3-5,8,10-12,15-16H2,1-2H3,(H,24,27)
InChIKeyIICYMQFFVBPBJT-UHFFFAOYSA-N
XLogP3.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 46400251
5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride
CID 120643908
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]benzamide
CID 46423662
N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8919230
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8923305
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]piperidine-4-carboxamide
CID 46400310
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39182076
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 139003731
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 46400297) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)NCC(C)N2CCc3sccc3C2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is IICYMQFFVBPBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S2/c1-17-6-7-19(14-22(17)31(28,29)26-10-4-3-5-11-26)23(27)24-15-18(2)25-12-8-21-20(16-25)9-13-30-21/h6-7,9,13-14,18H,3-5,8,10-12,15-16H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 461.65 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 46400297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).