N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

C19H20N4O5S2 — CID 24564609

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCOc1cccc2sc(NC(=O)CNC(=O)CNS(=O)(=O)c3ccc(C)cc3)nc12
InChIInChI=1S/C19H20N4O5S2/c1-12-6-8-13(9-7-12)30(26,27)21-11-16(24)20-10-17(25)22-19-23-18-14(28-2)4-3-5-15(18)29-19/h3-9,21H,10-11H2,1-2H3,(H,20,24)(H,22,23,25)
InChIKeyPCWDXAGZYCNWET-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.65
Rot. Bonds8

About N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide

N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (PubChem CID 24564609) has the molecular formula C19H20N4O5S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
PubChem CID24564609
Molecular FormulaC19H20N4O5S2
Molecular Weight448.53 g/mol
Exact Mass448.09
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
SMILESCOc1cccc2sc(NC(=O)CNC(=O)CNS(=O)(=O)c3ccc(C)cc3)nc12
InChIInChI=1S/C19H20N4O5S2/c1-12-6-8-13(9-7-12)30(26,27)21-11-16(24)20-10-17(25)22-19-23-18-14(28-2)4-3-5-15(18)29-19/h3-9,21H,10-11H2,1-2H3,(H,20,24)(H,22,23,25)
InChIKeyPCWDXAGZYCNWET-UHFFFAOYSA-N
XLogP1.65
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide with MolForge

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Related Compounds

(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544064
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838
3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 24564599
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16829090
4-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3376104
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 43952137
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24647572
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218417
N-(3-acetamido-4-methoxyphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24666813
4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 16803054

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide (CID 24564609) is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is COc1cccc2sc(NC(=O)CNC(=O)CNS(=O)(=O)c3ccc(C)cc3)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
The InChIKey is PCWDXAGZYCNWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S2/c1-12-6-8-13(9-7-12)30(26,27)21-11-16(24)20-10-17(25)22-19-23-18-14(28-2)4-3-5-15(18)29-19/h3-9,21H,10-11H2,1-2H3,(H,20,24)(H,22,23,25).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide has a molecular weight of 448.53 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide is sourced from PubChem (CID 24564609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).