N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide

C17H17N3O4S2 — CID 46291267

IUPACN-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C)c2nc(NS(=O)(=O)c3ccccc3)sc2c1
InChIInChI=1S/C17H17N3O4S2/c1-11-8-12(18-15(21)10-24-2)9-14-16(11)19-17(25-14)20-26(22,23)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKBMBNDSMQLEHAE-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.99
Rot. Bonds6

About N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide

N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide (PubChem CID 46291267) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide
PubChem CID46291267
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC NameN-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C)c2nc(NS(=O)(=O)c3ccccc3)sc2c1
InChIInChI=1S/C17H17N3O4S2/c1-11-8-12(18-15(21)10-24-2)9-14-16(11)19-17(25-14)20-26(22,23)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKBMBNDSMQLEHAE-UHFFFAOYSA-N
XLogP2.99
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-(3,4-dimethylphenyl)urea
CID 46382570
N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
CID 46291220
1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-(3-chlorophenyl)urea
CID 46382575
N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-2-thiophen-2-ylacetamide
CID 20930996
1-(2-methoxyphenyl)-3-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382498
1-(2-ethoxyphenyl)-3-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382510
N-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-2-(3-methylphenoxy)acetamide
CID 20931027
3-fluoro-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
CID 46291222
N-[6-[(4-ethylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325555
N-[6-[(4-bromophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325536
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
CID 46325595
N-[6-[(4-acetylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325564

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide (CID 46291267) is N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide is COCC(=O)Nc1cc(C)c2nc(NS(=O)(=O)c3ccccc3)sc2c1.
What is the InChIKey of N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide?
The InChIKey is KBMBNDSMQLEHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-11-8-12(18-15(21)10-24-2)9-14-16(11)19-17(25-14)20-26(22,23)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide?
N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide has a molecular weight of 391.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide is sourced from PubChem (CID 46291267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).