N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C15H15N3O4S3 — CID 6621518

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCOc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3cccs3)sc2c1
InChIInChI=1S/C15H15N3O4S3/c1-18(25(20,21)14-4-3-7-23-14)9-13(19)17-15-16-11-6-5-10(22-2)8-12(11)24-15/h3-8H,9H2,1-2H3,(H,16,17,19)
InChIKeyLOYSRMBJQNNQIP-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.63
Rot. Bonds6

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 6621518) has the molecular formula C15H15N3O4S3 and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID6621518
Molecular FormulaC15H15N3O4S3
Molecular Weight397.50 g/mol
Exact Mass397.02
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCOc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3cccs3)sc2c1
InChIInChI=1S/C15H15N3O4S3/c1-18(25(20,21)14-4-3-7-23-14)9-13(19)17-15-16-11-6-5-10(22-2)8-12(11)24-15/h3-8H,9H2,1-2H3,(H,16,17,19)
InChIKeyLOYSRMBJQNNQIP-UHFFFAOYSA-N
XLogP2.63
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
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-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 6621518) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is COc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3cccs3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is LOYSRMBJQNNQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S3/c1-18(25(20,21)14-4-3-7-23-14)9-13(19)17-15-16-11-6-5-10(22-2)8-12(11)24-15/h3-8H,9H2,1-2H3,(H,16,17,19).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 397.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 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-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 6621518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).