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

C20H22N2O2S2 — CID 110645576

IUPACN-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2nc(C)c(Cc3ccccc3)s2)c1
InChIInChI=1S/C20H22N2O2S2/c1-15-7-6-10-18(13-15)26(23,24)21-12-11-20-22-16(2)19(25-20)14-17-8-4-3-5-9-17/h3-10,13,21H,11-12,14H2,1-2H3
InChIKeyCMXCOKPBSHMEQZ-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.87
Rot. Bonds7

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

N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide (PubChem CID 110645576) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide
PubChem CID110645576
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC NameN-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2nc(C)c(Cc3ccccc3)s2)c1
InChIInChI=1S/C20H22N2O2S2/c1-15-7-6-10-18(13-15)26(23,24)21-12-11-20-22-16(2)19(25-20)14-17-8-4-3-5-9-17/h3-10,13,21H,11-12,14H2,1-2H3
InChIKeyCMXCOKPBSHMEQZ-UHFFFAOYSA-N
XLogP3.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460269
3-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317603
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide
CID 110718842
3-methyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 53090383
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 3687846
N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide
CID 110645528
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503062
3-methyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717603
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
CID 110421328
[3-(2-phenylethylsulfamoyl)phenyl]boronic acid
CID 86039072
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide (CID 110645576) is N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCCc2nc(C)c(Cc3ccccc3)s2)c1.
What is the InChIKey of N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is CMXCOKPBSHMEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-15-7-6-10-18(13-15)26(23,24)21-12-11-20-22-16(2)19(25-20)14-17-8-4-3-5-9-17/h3-10,13,21H,11-12,14H2,1-2H3.
What are the key properties of N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide?
N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 386.54 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 110645576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).