3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide

C21H27N3O6S2 — CID 55339765

IUPAC3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(S(N)(=O)=O)s2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C21H27N3O6S2/c1-2-29-18-12-15(21(26)23-13-16-7-9-20(31-16)32(22,27)28)6-8-17(18)30-14-19(25)24-10-4-3-5-11-24/h6-9,12H,2-5,10-11,13-14H2,1H3,(H,23,26)(H2,22,27,28)
InChIKeyZPMRHPWQXUHBFN-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.12
Rot. Bonds9

About 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide

3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide (PubChem CID 55339765) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
PubChem CID55339765
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(S(N)(=O)=O)s2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C21H27N3O6S2/c1-2-29-18-12-15(21(26)23-13-16-7-9-20(31-16)32(22,27)28)6-8-17(18)30-14-19(25)24-10-4-3-5-11-24/h6-9,12H,2-5,10-11,13-14H2,1H3,(H,23,26)(H2,22,27,28)
InChIKeyZPMRHPWQXUHBFN-UHFFFAOYSA-N
XLogP2.12
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 31216633
3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55724935
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55457672
trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate
CID 96508175
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 46823944
N-(1-aminopropan-2-yl)-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119582017
1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064079
propyl 4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]benzoate
CID 26199007
N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26102370
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
ethyl 2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-(2-methoxyethyl)amino]acetate
CID 55726487

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide (CID 55339765) is 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide is CCOc1cc(C(=O)NCc2ccc(S(N)(=O)=O)s2)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
The InChIKey is ZPMRHPWQXUHBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c1-2-29-18-12-15(21(26)23-13-16-7-9-20(31-16)32(22,27)28)6-8-17(18)30-14-19(25)24-10-4-3-5-11-24/h6-9,12H,2-5,10-11,13-14H2,1H3,(H,23,26)(H2,22,27,28).
What are the key properties of 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide?
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide has a molecular weight of 481.60 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 55339765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).