3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide

C19H25N3O5S2 — CID 56532927

IUPAC3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)N2CCCC(c3nccs3)C2)cc1OC
InChIInChI=1S/C19H25N3O5S2/c1-26-16-6-5-15(12-17(16)27-2)29(24,25)21-8-7-18(23)22-10-3-4-14(13-22)19-20-9-11-28-19/h5-6,9,11-12,14,21H,3-4,7-8,10,13H2,1-2H3
InChIKeyINBBDYKLKJVITJ-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.23
Rot. Bonds8

About 3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide

3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide (PubChem CID 56532927) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide
PubChem CID56532927
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC Name3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)N2CCCC(c3nccs3)C2)cc1OC
InChIInChI=1S/C19H25N3O5S2/c1-26-16-6-5-15(12-17(16)27-2)29(24,25)21-8-7-18(23)22-10-3-4-14(13-22)19-20-9-11-28-19/h5-6,9,11-12,14,21H,3-4,7-8,10,13H2,1-2H3
InChIKeyINBBDYKLKJVITJ-UHFFFAOYSA-N
XLogP2.23
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[3-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119595950
1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55957937
3-(3-bromo-4-methoxyphenyl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 56532952
N-cyclopropyl-4-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide
CID 56579127
2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56532917
3,4-dimethoxy-N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]benzenesulfonamide
CID 55428335
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
CID 110289836
2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289792
(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 56579242
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-3,4-dimethoxybenzenesulfonamide
CID 38376490
3-(3,4-dimethoxyphenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490636
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide (CID 56532927) is 3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCC(=O)N2CCCC(c3nccs3)C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide?
The InChIKey is INBBDYKLKJVITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-26-16-6-5-15(12-17(16)27-2)29(24,25)21-8-7-18(23)22-10-3-4-14(13-22)19-20-9-11-28-19/h5-6,9,11-12,14,21H,3-4,7-8,10,13H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide?
3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide has a molecular weight of 439.56 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 56532927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).