3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide

C19H20N2O4S2 — CID 24892236

IUPAC3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
SMILESCOCCn1/c(=N/C(=O)CCS(=O)(=O)c2ccccc2)sc2ccccc21
InChIInChI=1S/C19H20N2O4S2/c1-25-13-12-21-16-9-5-6-10-17(16)26-19(21)20-18(22)11-14-27(23,24)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3/b20-19-
InChIKeyOFJJRTUUTXEEQR-VXPUYCOJSA-N
MW404.51 g/mol
LogP2.64
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide

3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide (PubChem CID 24892236) has the molecular formula C19H20N2O4S2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
PubChem CID24892236
Molecular FormulaC19H20N2O4S2
Molecular Weight404.51 g/mol
Exact Mass404.09
IUPAC Name3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
SMILESCOCCn1/c(=N/C(=O)CCS(=O)(=O)c2ccccc2)sc2ccccc21
InChIInChI=1S/C19H20N2O4S2/c1-25-13-12-21-16-9-5-6-10-17(16)26-19(21)20-18(22)11-14-27(23,24)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3/b20-19-
InChIKeyOFJJRTUUTXEEQR-VXPUYCOJSA-N
XLogP2.64
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(Z)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)acetamide
CID 3238397
(Z)-ethyl 2-(2-((2-(acetylthio)acetyl)imino)-6-fluorobenzo[d]thiazol-3(2H)-yl)acetate
CID 3604296
(E)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-(phenylsulfonyl)acetamide
CID 18573226
(E)-N-(6-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-(phenylsulfonyl)acetamide
CID 18573234
(Z)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)pentanamide
CID 3241787
2-(benzenesulfonyl)-N-[(2Z)-6-methanesulfonyl-3-propyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide
CID 16799806
(Z)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-morpholino-2-oxoethyl)thio)acetamide
CID 3237163
(Z)-S-(2-((3-ethylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate
CID 3237316
Ethyl 4-[2-[2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate
CID 3237774
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 3239004
(Z)-2-((2-morpholino-2-oxoethyl)thio)-N-(3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)acetamide
CID 3240245
S-(2-{[(2Z)-6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl) ethanethioate
CID 3244663

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide (CID 24892236) is 3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide is COCCn1/c(=N/C(=O)CCS(=O)(=O)c2ccccc2)sc2ccccc21.
What is the InChIKey of 3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide?
The InChIKey is OFJJRTUUTXEEQR-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O4S2/c1-25-13-12-21-16-9-5-6-10-17(16)26-19(21)20-18(22)11-14-27(23,24)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3/b20-19-.
What are the key properties of 3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide?
3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide has a molecular weight of 404.51 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide is sourced from PubChem (CID 24892236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).