N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide

C24H23N3O5S2 — CID 121045476

IUPACN-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)/N=c3\sc4c(C)ccc(OC)c4n3C)cc2)cc1
InChIInChI=1S/C24H23N3O5S2/c1-15-5-14-20(32-4)21-22(15)33-24(27(21)2)25-23(28)16-6-8-17(9-7-16)26-34(29,30)19-12-10-18(31-3)11-13-19/h5-14,26H,1-4H3/b25-24-
InChIKeyIKFJDIMXJZPXDA-IZHYLOQSSA-N
MW497.60 g/mol
LogP4.11
Rot. Bonds6

About N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide

N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 121045476) has the molecular formula C24H23N3O5S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
PubChem CID121045476
Molecular FormulaC24H23N3O5S2
Molecular Weight497.60 g/mol
Exact Mass497.11
IUPAC NameN-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)/N=c3\sc4c(C)ccc(OC)c4n3C)cc2)cc1
InChIInChI=1S/C24H23N3O5S2/c1-15-5-14-20(32-4)21-22(15)33-24(27(21)2)25-23(28)16-6-8-17(9-7-16)26-34(29,30)19-12-10-18(31-3)11-13-19/h5-14,26H,1-4H3/b25-24-
InChIKeyIKFJDIMXJZPXDA-IZHYLOQSSA-N
XLogP4.11
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121044492
4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2150824
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045472
4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41364257
N-(7-chloro-4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 7590249
4-(benzenesulfonamido)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 121043702
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4111010
ethyl 2-[4,7-dimethoxy-2-[4-[(4-methylphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 121044098
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfanylbenzamide
CID 41127134
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045170
N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045370
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121044636

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 121045476) is N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2ccc(C(=O)/N=c3\sc4c(C)ccc(OC)c4n3C)cc2)cc1.
What is the InChIKey of N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide?
The InChIKey is IKFJDIMXJZPXDA-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H23N3O5S2/c1-15-5-14-20(32-4)21-22(15)33-24(27(21)2)25-23(28)16-6-8-17(9-7-16)26-34(29,30)19-12-10-18(31-3)11-13-19/h5-14,26H,1-4H3/b25-24-.
What are the key properties of N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide?
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide has a molecular weight of 497.60 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121045476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).