4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

C14H18N2O3S2 — CID 110739054

IUPAC4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2ncc(C)s2)c(C)c1
InChIInChI=1S/C14H18N2O3S2/c1-9-5-12(19-4)6-10(2)14(9)21(17,18)16-8-13-15-7-11(3)20-13/h5-7,16H,8H2,1-4H3
InChIKeyLQLPOWRLAWYEGI-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.56
Rot. Bonds5

About 4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110739054) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110739054
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2ncc(C)s2)c(C)c1
InChIInChI=1S/C14H18N2O3S2/c1-9-5-12(19-4)6-10(2)14(9)21(17,18)16-8-13-15-7-11(3)20-13/h5-7,16H,8H2,1-4H3
InChIKeyLQLPOWRLAWYEGI-UHFFFAOYSA-N
XLogP2.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-methoxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 103697865
4-methoxy-2,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021674
4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110317993
3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 104868457
4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739007
4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 167814406
4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717621
N-(2-hydroxy-2-methylbutyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 65112859
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110739068
1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103700671
N-(cyclohexen-1-ylmethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 100542921
4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322399

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 110739054) is 4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCc2ncc(C)s2)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is LQLPOWRLAWYEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-9-5-12(19-4)6-10(2)14(9)21(17,18)16-8-13-15-7-11(3)20-13/h5-7,16H,8H2,1-4H3.
What are the key properties of 4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110739054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).