3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide

C19H20N2O3S2 — CID 7519470

IUPAC3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCc1ccc2c(c1)s/c(=N\C(=O)CCS(=O)(=O)c1ccccc1)n2C
InChIInChI=1S/C19H20N2O3S2/c1-3-14-9-10-16-17(13-14)25-19(21(16)2)20-18(22)11-12-26(23,24)15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3/b20-19-
InChIKeyOBMAUKVLTPYNKV-VXPUYCOJSA-N
MW388.51 g/mol
LogP3.09
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide

3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 7519470) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID7519470
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCc1ccc2c(c1)s/c(=N\C(=O)CCS(=O)(=O)c1ccccc1)n2C
InChIInChI=1S/C19H20N2O3S2/c1-3-14-9-10-16-17(13-14)25-19(21(16)2)20-18(22)11-12-26(23,24)15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3/b20-19-
InChIKeyOBMAUKVLTPYNKV-VXPUYCOJSA-N
XLogP3.09
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-6-ethyl-1,3-benzothiazol-3-yl]acetate
CID 40997152
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide
CID 40699846
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40694545
N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonylpropanamide
CID 43984184
3-(benzenesulfonyl)-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7153858
3-(benzenesulfonyl)-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
CID 40697651
methyl 2-[3-(benzenesulfonyl)propanoylimino]-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
CID 24892704
3-(benzenesulfonyl)-N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)propanamide
CID 42387824
3-(benzenesulfonyl)-N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)propanamide
CID 7153851
4-(benzenesulfonamido)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043819
3-(4-chlorophenyl)sulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 40951686
2-(benzenesulfonyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 18573226

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide (CID 7519470) is 3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide is CCc1ccc2c(c1)s/c(=N\C(=O)CCS(=O)(=O)c1ccccc1)n2C.
What is the InChIKey of 3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is OBMAUKVLTPYNKV-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-3-14-9-10-16-17(13-14)25-19(21(16)2)20-18(22)11-12-26(23,24)15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3/b20-19-.
What are the key properties of 3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 388.51 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide is sourced from PubChem (CID 7519470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).