2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C23H25N3O4S2 — CID 2467163

IUPAC2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3nc4c(s3)CCCC4)cc2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-16-7-13-19(14-8-16)32(28,29)26(2)17-9-11-18(12-10-17)30-15-22(27)25-23-24-20-5-3-4-6-21(20)31-23/h7-14H,3-6,15H2,1-2H3,(H,24,25,27)
InChIKeyRTPZFZBWYHCMKB-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.17
Rot. Bonds7

About 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2467163) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID2467163
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC Name2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3nc4c(s3)CCCC4)cc2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-16-7-13-19(14-8-16)32(28,29)26(2)17-9-11-18(12-10-17)30-15-22(27)25-23-24-20-5-3-4-6-21(20)31-23/h7-14H,3-6,15H2,1-2H3,(H,24,25,27)
InChIKeyRTPZFZBWYHCMKB-UHFFFAOYSA-N
XLogP4.17
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide with MolForge

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Related Compounds

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2474440
2-(4-ethoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3298902
2-(4-tert-butylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17011876
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 90543617
2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2335887
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
4-[methyl(phenyl)sulfamoyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 16605132
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3630491
N-(2,4-dimethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247228
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 2467163) is 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3nc4c(s3)CCCC4)cc2)cc1.
What is the InChIKey of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is RTPZFZBWYHCMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-16-7-13-19(14-8-16)32(28,29)26(2)17-9-11-18(12-10-17)30-15-22(27)25-23-24-20-5-3-4-6-21(20)31-23/h7-14H,3-6,15H2,1-2H3,(H,24,25,27).
What are the key properties of 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 471.60 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2467163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).