2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide

C24H27N3O6S — CID 24672755

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C24H27N3O6S/c1-4-33-18-7-9-19(10-8-18)34(29,30)27-21-15-23(32-3)22(31-2)14-20(21)24(28)26-13-11-17-6-5-12-25-16-17/h5-10,12,14-16,27H,4,11,13H2,1-3H3,(H,26,28)
InChIKeyDZUCYBRMQDRTSU-UHFFFAOYSA-N
MW485.56 g/mol
LogP3.27
Rot. Bonds11

About 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide

2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 24672755) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID24672755
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C24H27N3O6S/c1-4-33-18-7-9-19(10-8-18)34(29,30)27-21-15-23(32-3)22(31-2)14-20(21)24(28)26-13-11-17-6-5-12-25-16-17/h5-10,12,14-16,27H,4,11,13H2,1-3H3,(H,26,28)
InChIKeyDZUCYBRMQDRTSU-UHFFFAOYSA-N
XLogP3.27
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 26549903
N-(cyclopropylmethyl)-2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzamide
CID 24667240
2-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 39561652
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 126199254
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 30889614
4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 36866769
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16527095
N-[4,5-dimethoxy-2-(3-methylpiperidine-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 55544298
4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 55749777
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131
4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 70717840

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide (CID 24672755) is 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide is CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)NCCc2cccnc2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is DZUCYBRMQDRTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-4-33-18-7-9-19(10-8-18)34(29,30)27-21-15-23(32-3)22(31-2)14-20(21)24(28)26-13-11-17-6-5-12-25-16-17/h5-10,12,14-16,27H,4,11,13H2,1-3H3,(H,26,28).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide?
2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 485.56 g/mol, XLogP of 3.27, 11 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-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 24672755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).