N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide

C20H22N2O2S2 — CID 46833327

IUPACN-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C)c(-c3sc(C)nc3C)c2)cc1
InChIInChI=1S/C20H22N2O2S2/c1-13-6-10-18(11-7-13)26(23,24)22(5)17-9-8-14(2)19(12-17)20-15(3)21-16(4)25-20/h6-12H,1-5H3
InChIKeyKPSFSOQVQXMHBJ-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.87
Rot. Bonds4

About N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide

N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 46833327) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide
PubChem CID46833327
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC NameN-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C)c(-c3sc(C)nc3C)c2)cc1
InChIInChI=1S/C20H22N2O2S2/c1-13-6-10-18(11-7-13)26(23,24)22(5)17-9-8-14(2)19(12-17)20-15(3)21-16(4)25-20/h6-12H,1-5H3
InChIKeyKPSFSOQVQXMHBJ-UHFFFAOYSA-N
XLogP4.87
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide
CID 46831772
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methylphenyl]-4-methoxy-N-methylbenzenesulfonamide
CID 154073643
N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
4-[methyl-(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 62970870
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001
N,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18438757
N-tert-butyl-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810390
N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide
CID 1306381
N-(1-benzothiophen-2-yl)-N,4-dimethylbenzenesulfonamide
CID 166448666
N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide
CID 147378197

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide (CID 46833327) is N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C)c(-c3sc(C)nc3C)c2)cc1.
What is the InChIKey of N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is KPSFSOQVQXMHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-13-6-10-18(11-7-13)26(23,24)22(5)17-9-8-14(2)19(12-17)20-15(3)21-16(4)25-20/h6-12H,1-5H3.
What are the key properties of N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide?
N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 386.54 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 46833327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).