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

C23H21N3O5S2 — CID 46325720

IUPACN-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c3nc(NC(=O)c4ccccc4)sc3c2)cc1
InChIInChI=1S/C23H21N3O5S2/c1-3-31-17-9-11-18(12-10-17)33(28,29)26-16-13-19(30-2)21-20(14-16)32-23(24-21)25-22(27)15-7-5-4-6-8-15/h4-14,26H,3H2,1-2H3,(H,24,25,27)
InChIKeyYORHRDSXLXPWDA-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.76
Rot. Bonds8

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

N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide (PubChem CID 46325720) has the molecular formula C23H21N3O5S2 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
PubChem CID46325720
Molecular FormulaC23H21N3O5S2
Molecular Weight483.57 g/mol
Exact Mass483.09
IUPAC NameN-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c3nc(NC(=O)c4ccccc4)sc3c2)cc1
InChIInChI=1S/C23H21N3O5S2/c1-3-31-17-9-11-18(12-10-17)33(28,29)26-16-13-19(30-2)21-20(14-16)32-23(24-21)25-22(27)15-7-5-4-6-8-15/h4-14,26H,3H2,1-2H3,(H,24,25,27)
InChIKeyYORHRDSXLXPWDA-UHFFFAOYSA-N
XLogP4.76
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325696
N-[6-[(3,4-difluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325722
N-[4-[[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]sulfamoyl]phenyl]propanamide
CID 46325654
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]acetamide
CID 46325595
N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325719
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045166
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043147
4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 16803054
N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide
CID 46291080
N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325650
N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46326077
N-[4-methoxy-6-[(2-phenylsulfanylacetyl)amino]-1,3-benzothiazol-2-yl]benzamide
CID 46291081

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide (CID 46325720) is N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide is CCOc1ccc(S(=O)(=O)Nc2cc(OC)c3nc(NC(=O)c4ccccc4)sc3c2)cc1.
What is the InChIKey of N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is YORHRDSXLXPWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S2/c1-3-31-17-9-11-18(12-10-17)33(28,29)26-16-13-19(30-2)21-20(14-16)32-23(24-21)25-22(27)15-7-5-4-6-8-15/h4-14,26H,3H2,1-2H3,(H,24,25,27).
What are the key properties of N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide?
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 483.57 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 46325720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).