2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide

C19H25N3O4S2 — CID 56532917

IUPAC2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC(c3nccs3)C2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H25N3O4S2/c1-13(2)21-28(24,25)17-11-14(6-7-16(17)26-3)19(23)22-9-4-5-15(12-22)18-20-8-10-27-18/h6-8,10-11,13,15,21H,4-5,9,12H2,1-3H3
InChIKeyOJQGCXIJFSIGDB-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.86
Rot. Bonds6

About 2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide

2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 56532917) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID56532917
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC(c3nccs3)C2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H25N3O4S2/c1-13(2)21-28(24,25)17-11-14(6-7-16(17)26-3)19(23)22-9-4-5-15(12-22)18-20-8-10-27-18/h6-8,10-11,13,15,21H,4-5,9,12H2,1-3H3
InChIKeyOJQGCXIJFSIGDB-UHFFFAOYSA-N
XLogP2.86
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56533013
2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56532831
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119543843
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 119631942
2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119491799
2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119401125
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119543842
(3S,4S)-1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952831
3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide
CID 56532927
1-(3-methoxy-4-propan-2-yloxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55813505
2-(4-methoxyphenyl)-N-[[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 86903151
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 56532917) is 2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is COc1ccc(C(=O)N2CCCC(c3nccs3)C2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is OJQGCXIJFSIGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-13(2)21-28(24,25)17-11-14(6-7-16(17)26-3)19(23)22-9-4-5-15(12-22)18-20-8-10-27-18/h6-8,10-11,13,15,21H,4-5,9,12H2,1-3H3.
What are the key properties of 2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 423.56 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 56532917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).