2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide

C19H20N2O3S2 — CID 42523682

IUPAC2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)CS(=O)(=O)Cc2ccccc2)sc2cc(C)ccc21
InChIInChI=1S/C19H20N2O3S2/c1-3-21-16-10-9-14(2)11-17(16)25-19(21)20-18(22)13-26(23,24)12-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3/b20-19-
InChIKeyBVGHGGYFXZBKSC-VXPUYCOJSA-N
MW388.51 g/mol
LogP3.07
Rot. Bonds5

About 2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide

2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 42523682) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID42523682
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)CS(=O)(=O)Cc2ccccc2)sc2cc(C)ccc21
InChIInChI=1S/C19H20N2O3S2/c1-3-21-16-10-9-14(2)11-17(16)25-19(21)20-18(22)13-26(23,24)12-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3/b20-19-
InChIKeyBVGHGGYFXZBKSC-VXPUYCOJSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 42523682) is 2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide is CCn1/c(=N/C(=O)CS(=O)(=O)Cc2ccccc2)sc2cc(C)ccc21.
What is the InChIKey of 2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is BVGHGGYFXZBKSC-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-3-21-16-10-9-14(2)11-17(16)25-19(21)20-18(22)13-26(23,24)12-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3/b20-19-.
What are the key properties of 2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 388.51 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 42523682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).