N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide

C14H13N3O4S3 — CID 6621193

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCOc1ccc2nc(NC(=O)CNS(=O)(=O)c3cccs3)sc2c1
InChIInChI=1S/C14H13N3O4S3/c1-21-9-4-5-10-11(7-9)23-14(16-10)17-12(18)8-15-24(19,20)13-3-2-6-22-13/h2-7,15H,8H2,1H3,(H,16,17,18)
InChIKeyOKXRQICUIJPPPP-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.28
Rot. Bonds6

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 6621193) has the molecular formula C14H13N3O4S3 and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID6621193
Molecular FormulaC14H13N3O4S3
Molecular Weight383.48 g/mol
Exact Mass383.01
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCOc1ccc2nc(NC(=O)CNS(=O)(=O)c3cccs3)sc2c1
InChIInChI=1S/C14H13N3O4S3/c1-21-9-4-5-10-11(7-9)23-14(16-10)17-12(18)8-15-24(19,20)13-3-2-6-22-13/h2-7,15H,8H2,1H3,(H,16,17,18)
InChIKeyOKXRQICUIJPPPP-UHFFFAOYSA-N
XLogP2.28
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide (CID 6621193) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide is COc1ccc2nc(NC(=O)CNS(=O)(=O)c3cccs3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is OKXRQICUIJPPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S3/c1-21-9-4-5-10-11(7-9)23-14(16-10)17-12(18)8-15-24(19,20)13-3-2-6-22-13/h2-7,15H,8H2,1H3,(H,16,17,18).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 383.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 6621193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).