4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide

C24H23N3O4S — CID 31670648

IUPAC4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCc1ccccc1OCCN(C)C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C24H23N3O4S/c1-17-7-3-5-9-21(17)31-16-15-27(2)24(28)18-11-13-19(14-12-18)25-23-20-8-4-6-10-22(20)32(29,30)26-23/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeyGOKOOBNYUTXWBZ-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.71
Rot. Bonds6

About 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide

4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide (PubChem CID 31670648) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
PubChem CID31670648
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCc1ccccc1OCCN(C)C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C24H23N3O4S/c1-17-7-3-5-9-21(17)31-16-15-27(2)24(28)18-11-13-19(14-12-18)25-23-20-8-4-6-10-22(20)32(29,30)26-23/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeyGOKOOBNYUTXWBZ-UHFFFAOYSA-N
XLogP3.71
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide with MolForge

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Related Compounds

2-(2-methylphenoxy)ethyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate
CID 30391528
4-(acetamidomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120176
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-propan-2-ylbenzamide
CID 18107944
N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 26979272
3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 46409789
3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 31670360
4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119298341
2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide
CID 106853383
[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 4-methylbenzoate
CID 1007502
N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142801
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120132

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide (CID 31670648) is 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide is Cc1ccccc1OCCN(C)C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The InChIKey is GOKOOBNYUTXWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-17-7-3-5-9-21(17)31-16-15-27(2)24(28)18-11-13-19(14-12-18)25-23-20-8-4-6-10-22(20)32(29,30)26-23/h3-14H,15-16H2,1-2H3,(H,25,26).
What are the key properties of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 31670648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).