N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C20H22N2O3S2 — CID 108782290

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C20H22N2O3S2/c1-14-9-18(25-3)19(10-15(14)2)27(23,24)21-12-17-13-26-20(22-17)11-16-7-5-4-6-8-16/h4-10,13,21H,11-12H2,1-3H3
InChIKeyGNEWKDCFDROVIX-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.84
Rot. Bonds7

About N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 108782290) has the molecular formula C20H22N2O3S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID108782290
Molecular FormulaC20H22N2O3S2
Molecular Weight402.54 g/mol
Exact Mass402.11
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C20H22N2O3S2/c1-14-9-18(25-3)19(10-15(14)2)27(23,24)21-12-17-13-26-20(22-17)11-16-7-5-4-6-8-16/h4-10,13,21H,11-12H2,1-3H3
InChIKeyGNEWKDCFDROVIX-UHFFFAOYSA-N
XLogP3.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110718090
2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide
CID 110398405
2-methoxy-4,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440479
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 110714475
2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6457434
2,4,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3238536
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
CID 15943814
4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 47319452
N-[6-(benzylamino)pyridazin-3-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113040841
(E)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 108760597

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 108782290) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCc1csc(Cc2ccccc2)n1.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is GNEWKDCFDROVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S2/c1-14-9-18(25-3)19(10-15(14)2)27(23,24)21-12-17-13-26-20(22-17)11-16-7-5-4-6-8-16/h4-10,13,21H,11-12H2,1-3H3.
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 402.54 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 108782290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).