N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide

C22H19N3O3S2 — CID 46291220

IUPACN-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3c(C)cc(NC(=O)c4ccccc4)cc3s2)cc1
InChIInChI=1S/C22H19N3O3S2/c1-14-8-10-18(11-9-14)30(27,28)25-22-24-20-15(2)12-17(13-19(20)29-22)23-21(26)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,26)(H,24,25)
InChIKeyULFGTHMLMUAWGM-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.97
Rot. Bonds5

About N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide

N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide (PubChem CID 46291220) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
PubChem CID46291220
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC NameN-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3c(C)cc(NC(=O)c4ccccc4)cc3s2)cc1
InChIInChI=1S/C22H19N3O3S2/c1-14-8-10-18(11-9-14)30(27,28)25-22-24-20-15(2)12-17(13-19(20)29-22)23-21(26)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,26)(H,24,25)
InChIKeyULFGTHMLMUAWGM-UHFFFAOYSA-N
XLogP4.97
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
CID 46291222
N-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-4-methylbenzamide
CID 46291240
N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]pyrazine-2-carboxamide
CID 20930988
1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-(3,4-dimethylphenyl)urea
CID 46382570
1-(2-methoxyphenyl)-3-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382498
N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-2-thiophen-2-ylacetamide
CID 20930996
N-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-2-methoxyacetamide
CID 46291267
1-(2-ethoxyphenyl)-3-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382510
1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-(3-chlorophenyl)urea
CID 46382575
N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide
CID 46325627
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 121041666

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide?
The IUPAC name of N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide (CID 46291220) is N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide.
What is the SMILES notation for N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide?
The canonical SMILES for N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide is Cc1ccc(S(=O)(=O)Nc2nc3c(C)cc(NC(=O)c4ccccc4)cc3s2)cc1.
What is the InChIKey of N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide?
The InChIKey is ULFGTHMLMUAWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c1-14-8-10-18(11-9-14)30(27,28)25-22-24-20-15(2)12-17(13-19(20)29-22)23-21(26)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide?
N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide has a molecular weight of 437.55 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide is sourced from PubChem (CID 46291220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).