4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide

C25H27N3O6S — CID 55333054

IUPAC4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(C(=O)NC)cc3)cc2)cc1
InChIInChI=1S/C25H27N3O6S/c1-4-33-21-13-15-23(16-14-21)35(31,32)28(3)20-9-11-22(12-10-20)34-17-24(29)27-19-7-5-18(6-8-19)25(30)26-2/h5-16H,4,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyWWHKTRIRYFWLPZ-UHFFFAOYSA-N
MW497.57 g/mol
LogP3.29
Rot. Bonds10

About 4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide

4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide (PubChem CID 55333054) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is 4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide
PubChem CID55333054
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Name4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(C(=O)NC)cc3)cc2)cc1
InChIInChI=1S/C25H27N3O6S/c1-4-33-21-13-15-23(16-14-21)35(31,32)28(3)20-9-11-22(12-10-20)34-17-24(29)27-19-7-5-18(6-8-19)25(30)26-2/h5-16H,4,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyWWHKTRIRYFWLPZ-UHFFFAOYSA-N
XLogP3.29
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(4-methylphenyl)acetamide
CID 17247012
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
CID 2228680
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 55571488
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
CID 9076385
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 3921360
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 55335445
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3526342
N-(4-ethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265486

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide (CID 55333054) is 4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide is CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(C(=O)NC)cc3)cc2)cc1.
What is the InChIKey of 4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide?
The InChIKey is WWHKTRIRYFWLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-4-33-21-13-15-23(16-14-21)35(31,32)28(3)20-9-11-22(12-10-20)34-17-24(29)27-19-7-5-18(6-8-19)25(30)26-2/h5-16H,4,17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide?
4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide has a molecular weight of 497.57 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 55333054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).