2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide

C17H16N2O2S2 — CID 100533533

IUPAC2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C17H16N2O2S2/c1-3-22-14-7-5-4-6-12(14)16(20)18-11-8-9-13-15(10-11)23-17(21)19(13)2/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyILWYPCWFMQUSQX-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.96
Rot. Bonds4

About 2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide

2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide (PubChem CID 100533533) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
PubChem CID100533533
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C17H16N2O2S2/c1-3-22-14-7-5-4-6-12(14)16(20)18-11-8-9-13-15(10-11)23-17(21)19(13)2/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyILWYPCWFMQUSQX-UHFFFAOYSA-N
XLogP3.96
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 22577324
2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24624741
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179
N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631406
4-(benzenesulfonamido)-2-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100532371
2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 22577330
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 100525689
2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376
N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide
CID 4631711
2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 46249436
2-ethylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53285947
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 46352398

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide (CID 100533533) is 2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide is CCSc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C.
What is the InChIKey of 2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is ILWYPCWFMQUSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-3-22-14-7-5-4-6-12(14)16(20)18-11-8-9-13-15(10-11)23-17(21)19(13)2/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of 2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 344.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 100533533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).