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

C13H16N2O3S2 — CID 47319452

IUPAC4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2csc(C)n2)c(C)c1
InChIInChI=1S/C13H16N2O3S2/c1-9-6-12(18-3)4-5-13(9)20(16,17)14-7-11-8-19-10(2)15-11/h4-6,8,14H,7H2,1-3H3
InChIKeySVWHRPQPQOJQQU-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.25
Rot. Bonds5

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

4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 47319452) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID47319452
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2csc(C)n2)c(C)c1
InChIInChI=1S/C13H16N2O3S2/c1-9-6-12(18-3)4-5-13(9)20(16,17)14-7-11-8-19-10(2)15-11/h4-6,8,14H,7H2,1-3H3
InChIKeySVWHRPQPQOJQQU-UHFFFAOYSA-N
XLogP2.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110728011
2,4,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3238536
2,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 112500676
4-methoxy-2-methyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110368668
4-methoxy-2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]benzenesulfonamide
CID 126823335
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
4-fluoro-2-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 110719618
5-amino-2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 61282243
4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3245366
4-methoxy-2-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
CID 126821555
2,5-dimethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 108784363
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110781066

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 47319452) is 4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2csc(C)n2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is SVWHRPQPQOJQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-9-6-12(18-3)4-5-13(9)20(16,17)14-7-11-8-19-10(2)15-11/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 47319452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).