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

C21H24N2O3S2 — CID 7202350

IUPACN-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(C)c(C)c3)s2)cc1
InChIInChI=1S/C21H24N2O3S2/c1-14-5-10-19(13-15(14)2)28(24,25)22-12-11-20-16(3)23-21(27-20)17-6-8-18(26-4)9-7-17/h5-10,13,22H,11-12H2,1-4H3
InChIKeyYHAANNSIXJSHGW-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.26
Rot. Bonds7

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

N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 7202350) has the molecular formula C21H24N2O3S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide
PubChem CID7202350
Molecular FormulaC21H24N2O3S2
Molecular Weight416.57 g/mol
Exact Mass416.12
IUPAC NameN-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(C)c(C)c3)s2)cc1
InChIInChI=1S/C21H24N2O3S2/c1-14-5-10-19(13-15(14)2)28(24,25)22-12-11-20-16(3)23-21(27-20)17-6-8-18(26-4)9-7-17/h5-10,13,22H,11-12H2,1-4H3
InChIKeyYHAANNSIXJSHGW-UHFFFAOYSA-N
XLogP4.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
CID 18563013
4-butoxy-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 22583786
4-fluoro-3-methyl-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503113
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 18563024
N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenoxybenzenesulfonamide
CID 22583807
4-chloro-N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 22583799
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-ethylbenzenesulfonamide
CID 20965733
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503062
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20965729
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110395413
3,4-dimethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121697

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide (CID 7202350) is N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide is COc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(C)c(C)c3)s2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is YHAANNSIXJSHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S2/c1-14-5-10-19(13-15(14)2)28(24,25)22-12-11-20-16(3)23-21(27-20)17-6-8-18(26-4)9-7-17/h5-10,13,22H,11-12H2,1-4H3.
What are the key properties of N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide?
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 416.57 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 7202350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).