4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

C17H23N3O3S2 — CID 110398238

IUPAC4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C17H23N3O3S2/c1-23-15-5-7-16(8-6-15)25(21,22)18-10-9-14-13-24-17(19-14)20-11-3-2-4-12-20/h5-8,13,18H,2-4,9-12H2,1H3
InChIKeyJBFUCFNRVWUGNN-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.66
Rot. Bonds7

About 4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 110398238) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID110398238
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C17H23N3O3S2/c1-23-15-5-7-16(8-6-15)25(21,22)18-10-9-14-13-24-17(19-14)20-11-3-2-4-12-20/h5-8,13,18H,2-4,9-12H2,1H3
InChIKeyJBFUCFNRVWUGNN-UHFFFAOYSA-N
XLogP2.66
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-2-sulfonamide
CID 16805893
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110398001
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215
4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397987
2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398156
2,5-dimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 90572267
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 90572298
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
(3R)-1-[3-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-3-carboxylic acid
CID 94830904
4-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397943

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 110398238) is 4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2csc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is JBFUCFNRVWUGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-23-15-5-7-16(8-6-15)25(21,22)18-10-9-14-13-24-17(19-14)20-11-3-2-4-12-20/h5-8,13,18H,2-4,9-12H2,1H3.
What are the key properties of 4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 381.52 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110398238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).