3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide

C18H16N2O5S2 — CID 7203072

IUPAC3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C18H16N2O5S2/c21-17(6-9-27(22,23)12-4-2-1-3-5-12)20-18-19-13-10-14-15(11-16(13)26-18)25-8-7-24-14/h1-5,10-11H,6-9H2,(H,19,20,21)
InChIKeyFIACEMSRYTURBB-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.87
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide

3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide (PubChem CID 7203072) has the molecular formula C18H16N2O5S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide
PubChem CID7203072
Molecular FormulaC18H16N2O5S2
Molecular Weight404.47 g/mol
Exact Mass404.05
IUPAC Name3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C18H16N2O5S2/c21-17(6-9-27(22,23)12-4-2-1-3-5-12)20-18-19-13-10-14-15(11-16(13)26-18)25-8-7-24-14/h1-5,10-11H,6-9H2,(H,19,20,21)
InChIKeyFIACEMSRYTURBB-UHFFFAOYSA-N
XLogP2.87
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide 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

10,13-Dioxa-4-thia-6-azatricyclo(7.4.0.0,3,7)trideca-1(9),2,5,7-tetraen-5-amine
CID 771615
(2S)-N-(6,7-Dihydro[1,4]dioxino[2,3-f]benzothiazol-2-yl)-1-(methylsulfonyl)-2-piperidinecarboxamide
CID 25881665
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 2382005
N-(6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-yl)isobutyramide
CID 5141758
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide
CID 7202770
methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate
CID 817755
N-[6-[4-fluoro-3-[(3-methoxyphenyl)carbamoylamino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 141735099
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 44086933
2-[1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-1H-tetrazol-5-ylsulfanyl]-N-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide
CID 644402
2-(benzylsulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 1094088
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonyl]acetamide
CID 1248559
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)acetamide
CID 2219317

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide (CID 7203072) is 3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2cc3c(cc2s1)OCCO3.
What is the InChIKey of 3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide?
The InChIKey is FIACEMSRYTURBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S2/c21-17(6-9-27(22,23)12-4-2-1-3-5-12)20-18-19-13-10-14-15(11-16(13)26-18)25-8-7-24-14/h1-5,10-11H,6-9H2,(H,19,20,21).
What are the key properties of 3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide?
3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide has a molecular weight of 404.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide is sourced from PubChem (CID 7203072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).