4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide

C17H26N2O4S — CID 35402103

IUPAC4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-4-23-15-5-7-16(8-6-15)24(21,22)18-14-9-11-19(12-10-14)17(20)13(2)3/h5-8,13-14,18H,4,9-12H2,1-3H3
InChIKeyVOAQEKWXXYEMFE-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.01
Rot. Bonds6

About 4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide

4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 35402103) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID35402103
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-4-23-15-5-7-16(8-6-15)24(21,22)18-14-9-11-19(12-10-14)17(20)13(2)3/h5-8,13-14,18H,4,9-12H2,1-3H3
InChIKeyVOAQEKWXXYEMFE-UHFFFAOYSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565571
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
4-ethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566859
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
CID 108563446
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
4-methoxy-N-[1-(2-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823767
4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 75477000
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444
4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
CID 110347837

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide (CID 35402103) is 4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is VOAQEKWXXYEMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-23-15-5-7-16(8-6-15)24(21,22)18-14-9-11-19(12-10-14)17(20)13(2)3/h5-8,13-14,18H,4,9-12H2,1-3H3.
What are the key properties of 4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide?
4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 35402103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).