2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide

C18H19N3O4S2 — CID 9383386

IUPAC2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O4S2/c1-25-12-11-19-17(22)13-21(27(23,24)14-7-3-2-4-8-14)18-20-15-9-5-6-10-16(15)26-18/h2-10H,11-13H2,1H3,(H,19,22)
InChIKeyZBOFDCKBRLVUSP-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.25
Rot. Bonds8

About 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide

2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 9383386) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID9383386
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC Name2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O4S2/c1-25-12-11-19-17(22)13-21(27(23,24)14-7-3-2-4-8-14)18-20-15-9-5-6-10-16(15)26-18/h2-10H,11-13H2,1H3,(H,19,22)
InChIKeyZBOFDCKBRLVUSP-UHFFFAOYSA-N
XLogP2.25
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-[(2S)-butan-2-yl]acetamide
CID 8537714
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide
CID 3139242
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxyethyl)acetamide
CID 30169183
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]acetamide
CID 2267443
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]acetamide
CID 28589257
N-(1,3-benzothiazol-2-yl)-N-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 27978862
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(3-methoxypropyl)acetamide
CID 30169579
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 90605357
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
2-[N-(benzenesulfonyl)anilino]-N-[2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]ethyl]acetamide
CID 21212069
3-(1,3-benzothiazol-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 24542870
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)acetamide
CID 55545422

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide (CID 9383386) is 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(c1nc2ccccc2s1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is ZBOFDCKBRLVUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-25-12-11-19-17(22)13-21(27(23,24)14-7-3-2-4-8-14)18-20-15-9-5-6-10-16(15)26-18/h2-10H,11-13H2,1H3,(H,19,22).
What are the key properties of 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(1,3-benzothiazol-2-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 9383386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).