4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

C18H19N3O3S2 — CID 110317993

IUPAC4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2nc(-c3ccccn3)cs2)c(C)c1
InChIInChI=1S/C18H19N3O3S2/c1-12-8-14(24-3)9-13(2)18(12)26(22,23)20-10-17-21-16(11-25-17)15-6-4-5-7-19-15/h4-9,11,20H,10H2,1-3H3
InChIKeyAXTRKPYJHGAFJY-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.31
Rot. Bonds6

About 4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110317993) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110317993
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2nc(-c3ccccn3)cs2)c(C)c1
InChIInChI=1S/C18H19N3O3S2/c1-12-8-14(24-3)9-13(2)18(12)26(22,23)20-10-17-21-16(11-25-17)15-6-4-5-7-19-15/h4-9,11,20H,10H2,1-3H3
InChIKeyAXTRKPYJHGAFJY-UHFFFAOYSA-N
XLogP3.31
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 75403048
N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110317951
4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739054
2,6-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide
CID 67819577
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110318005
2-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110318286
2-(methoxymethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116969991
3-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317603
2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110317990
ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
CID 110317930
N-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 110393835
2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110317920

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 110317993) is 4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCc2nc(-c3ccccn3)cs2)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is AXTRKPYJHGAFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-12-8-14(24-3)9-13(2)18(12)26(22,23)20-10-17-21-16(11-25-17)15-6-4-5-7-19-15/h4-9,11,20H,10H2,1-3H3.
What are the key properties of 4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 389.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110317993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).