4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide

C17H25N3O5S — CID 17425383

IUPAC4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C17H25N3O5S/c1-3-25-15-6-4-13(5-7-15)17(22)18-12-16(21)20-10-8-14(9-11-20)19-26(2,23)24/h4-7,14,19H,3,8-12H2,1-2H3,(H,18,22)
InChIKeyQHAHXOGLIWGLBM-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.36
Rot. Bonds7

About 4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide

4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 17425383) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID17425383
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C17H25N3O5S/c1-3-25-15-6-4-13(5-7-15)17(22)18-12-16(21)20-10-8-14(9-11-20)19-26(2,23)24/h4-7,14,19H,3,8-12H2,1-2H3,(H,18,22)
InChIKeyQHAHXOGLIWGLBM-UHFFFAOYSA-N
XLogP0.36
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836779
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444
N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-ethoxybenzamide
CID 31187832
4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 9243282
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-ethoxybenzamide
CID 136579673
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 35402103
4-ethoxy-N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9415430
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
1-[2-[(4-ethoxybenzoyl)amino]acetyl]-N,N-dimethylpiperidine-3-carboxamide
CID 51128375
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide (CID 17425383) is 4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is QHAHXOGLIWGLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-3-25-15-6-4-13(5-7-15)17(22)18-12-16(21)20-10-8-14(9-11-20)19-26(2,23)24/h4-7,14,19H,3,8-12H2,1-2H3,(H,18,22).
What are the key properties of 4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide?
4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 383.47 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 17425383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).