N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide

C23H21N3O5S2 — CID 121043250

IUPACN-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)/N=c3\sc4cc(OC)ccc4n3C)c2)cc1
InChIInChI=1S/C23H21N3O5S2/c1-26-20-12-9-18(31-3)14-21(20)32-23(26)24-22(27)15-5-4-6-16(13-15)25-33(28,29)19-10-7-17(30-2)8-11-19/h4-14,25H,1-3H3/b24-23-
InChIKeySQRZLYXFLRJAOT-VHXPQNKSSA-N
MW483.57 g/mol
LogP3.80
Rot. Bonds6

About N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide

N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 121043250) has the molecular formula C23H21N3O5S2 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
PubChem CID121043250
Molecular FormulaC23H21N3O5S2
Molecular Weight483.57 g/mol
Exact Mass483.09
IUPAC NameN-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)/N=c3\sc4cc(OC)ccc4n3C)c2)cc1
InChIInChI=1S/C23H21N3O5S2/c1-26-20-12-9-18(31-3)14-21(20)32-23(26)24-22(27)15-5-4-6-16(13-15)25-33(28,29)19-10-7-17(30-2)8-11-19/h4-14,25H,1-3H3/b24-23-
InChIKeySQRZLYXFLRJAOT-VHXPQNKSSA-N
XLogP3.80
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043155
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043463
methyl 2-[6-methoxy-2-[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 121043402
4-(benzenesulfonamido)-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043626
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121041894
N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043317
methyl 3-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazole-6-carboxylate
CID 121043363
N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043372
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045170
methyl 2-[6-ethoxy-2-[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 121043403
3-[(4-chlorophenyl)sulfonylamino]-N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043014
3-[(4-fluorophenyl)sulfonylamino]-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121042172

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 121043250) is N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2cccc(C(=O)/N=c3\sc4cc(OC)ccc4n3C)c2)cc1.
What is the InChIKey of N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The InChIKey is SQRZLYXFLRJAOT-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H21N3O5S2/c1-26-20-12-9-18(31-3)14-21(20)32-23(26)24-22(27)15-5-4-6-16(13-15)25-33(28,29)19-10-7-17(30-2)8-11-19/h4-14,25H,1-3H3/b24-23-.
What are the key properties of N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide has a molecular weight of 483.57 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121043250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).