2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide

C23H25N3O6S — CID 26549903

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C23H25N3O6S/c1-4-32-17-8-10-18(11-9-17)33(28,29)26-20-14-22(31-3)21(30-2)13-19(20)23(27)25-15-16-7-5-6-12-24-16/h5-14,26H,4,15H2,1-3H3,(H,25,27)
InChIKeyPPOORGSDMIWZRE-UHFFFAOYSA-N
MW471.54 g/mol
LogP3.23
Rot. Bonds10

About 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide

2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 26549903) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID26549903
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C23H25N3O6S/c1-4-32-17-8-10-18(11-9-17)33(28,29)26-20-14-22(31-3)21(30-2)13-19(20)23(27)25-15-16-7-5-6-12-24-16/h5-14,26H,4,15H2,1-3H3,(H,25,27)
InChIKeyPPOORGSDMIWZRE-UHFFFAOYSA-N
XLogP3.23
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide
CID 24667240
2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 24672755
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 30149815
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1076312
acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 91231286
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 30150724
4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51169949
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 43002443
1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108890731
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 27186819

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide (CID 26549903) is 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide is CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is PPOORGSDMIWZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-4-32-17-8-10-18(11-9-17)33(28,29)26-20-14-22(31-3)21(30-2)13-19(20)23(27)25-15-16-7-5-6-12-24-16/h5-14,26H,4,15H2,1-3H3,(H,25,27).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide?
2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 471.54 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 26549903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).