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

C13H16N2O2S2 — CID 47319374

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide
SMILESCc1nc(CNS(=O)(=O)CCc2ccccc2)cs1
InChIInChI=1S/C13H16N2O2S2/c1-11-15-13(10-18-11)9-14-19(16,17)8-7-12-5-3-2-4-6-12/h2-6,10,14H,7-9H2,1H3
InChIKeyQPXITANGJVJDBD-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.11
Rot. Bonds6

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide (PubChem CID 47319374) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide
PubChem CID47319374
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide
SMILESCc1nc(CNS(=O)(=O)CCc2ccccc2)cs1
InChIInChI=1S/C13H16N2O2S2/c1-11-15-13(10-18-11)9-14-19(16,17)8-7-12-5-3-2-4-6-12/h2-6,10,14H,7-9H2,1H3
InChIKeyQPXITANGJVJDBD-UHFFFAOYSA-N
XLogP2.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide
CID 110719646
1-[2-(benzylsulfamoyl)ethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111932118
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739268
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110728027
1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 61068746
2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 106049175
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylethanesulfonamide
CID 7216713
N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide
CID 110731727
4-(bromomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 65481025
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47044572
2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid
CID 61280702
N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide
CID 115595237

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide (CID 47319374) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide is Cc1nc(CNS(=O)(=O)CCc2ccccc2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide?
The InChIKey is QPXITANGJVJDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-11-15-13(10-18-11)9-14-19(16,17)8-7-12-5-3-2-4-6-12/h2-6,10,14H,7-9H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 47319374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).