N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide

C17H18N2O4S2 — CID 133230873

IUPACN-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C17H18N2O4S2/c1-11(13-6-4-5-7-15(13)23-3)18-25(21,22)12-8-9-14-16(10-12)24-17(20)19(14)2/h4-11,18H,1-3H3
InChIKeyOZNXZUQFAGEYLK-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.65
Rot. Bonds5

About N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide

N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide (PubChem CID 133230873) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
PubChem CID133230873
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C17H18N2O4S2/c1-11(13-6-4-5-7-15(13)23-3)18-25(21,22)12-8-9-14-16(10-12)24-17(20)19(14)2/h4-11,18H,1-3H3
InChIKeyOZNXZUQFAGEYLK-UHFFFAOYSA-N
XLogP2.65
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide 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

3-methyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100720711
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
N-[(1R)-1-(2-methylphenyl)ethyl]-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100733682
N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53074945
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzothiazole-6-sulfonamide
CID 100718837
N-[1-(2-methylphenyl)ethyl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 133207661
3-methyl-N-[(4-methylphenyl)-phenylmethyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 133234598
N-[(2-ethoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100719493
3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133219535
3-[(4-chlorophenyl)methyl]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100753898
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide (CID 133230873) is N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide is COc1ccccc1C(C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
The InChIKey is OZNXZUQFAGEYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-11(13-6-4-5-7-15(13)23-3)18-25(21,22)12-8-9-14-16(10-12)24-17(20)19(14)2/h4-11,18H,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide has a molecular weight of 378.48 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 133230873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).