3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide

C23H21N3O5S2 — CID 46291148

IUPAC3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3nc(NS(=O)(=O)c4ccc(C)cc4)sc3c2)c1
InChIInChI=1S/C23H21N3O5S2/c1-14-4-7-19(8-5-14)33(28,29)26-23-25-20-9-6-16(12-21(20)32-23)24-22(27)15-10-17(30-2)13-18(11-15)31-3/h4-13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyWGZXJULVPKCVMJ-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.68
Rot. Bonds7

About 3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide

3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide (PubChem CID 46291148) has the molecular formula C23H21N3O5S2 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
PubChem CID46291148
Molecular FormulaC23H21N3O5S2
Molecular Weight483.57 g/mol
Exact Mass483.09
IUPAC Name3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3nc(NS(=O)(=O)c4ccc(C)cc4)sc3c2)c1
InChIInChI=1S/C23H21N3O5S2/c1-14-4-7-19(8-5-14)33(28,29)26-23-25-20-9-6-16(12-21(20)32-23)24-22(27)15-10-17(30-2)13-18(11-15)31-3/h4-13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyWGZXJULVPKCVMJ-UHFFFAOYSA-N
XLogP4.68
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-4-methylbenzamide
CID 46291240
N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 2332353
1-(3-methylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382480
N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-2-(trifluoromethyl)benzamide
CID 46291162
1-(2,4-dimethylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382482
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 3160184
4-[(4-methoxyphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 121045218
ethyl 2-[[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]carbamoylamino]propanoate
CID 46382497
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 16803037
N-[[2-[(3,5-dimethoxybenzoyl)carbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3,5-dimethoxybenzamide
CID 5215569
1-(3-methylbutyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 20972687

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide (CID 46291148) is 3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc3nc(NS(=O)(=O)c4ccc(C)cc4)sc3c2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide?
The InChIKey is WGZXJULVPKCVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S2/c1-14-4-7-19(8-5-14)33(28,29)26-23-25-20-9-6-16(12-21(20)32-23)24-22(27)15-10-17(30-2)13-18(11-15)31-3/h4-13H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide?
3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide has a molecular weight of 483.57 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide is sourced from PubChem (CID 46291148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).