N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide

C24H36N4O5S — CID 4836019

IUPACN-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)cc1OCC
InChIInChI=1S/C24H36N4O5S/c1-8-32-21-12-10-19(14-22(21)33-9-2)26-24(29)16-27(7)23-13-11-20(15-25-23)34(30,31)28(17(3)4)18(5)6/h10-15,17-18H,8-9,16H2,1-7H3,(H,26,29)
InChIKeyWBTIOSDWIFNYPK-UHFFFAOYSA-N
MW492.64 g/mol
LogP3.76
Rot. Bonds12

About N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide

N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide (PubChem CID 4836019) has the molecular formula C24H36N4O5S and a molecular weight of 492.64 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide
PubChem CID4836019
Molecular FormulaC24H36N4O5S
Molecular Weight492.64 g/mol
Exact Mass492.24
IUPAC NameN-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)cc1OCC
InChIInChI=1S/C24H36N4O5S/c1-8-32-21-12-10-19(14-22(21)33-9-2)26-24(29)16-27(7)23-13-11-20(15-25-23)34(30,31)28(17(3)4)18(5)6/h10-15,17-18H,8-9,16H2,1-7H3,(H,26,29)
InChIKeyWBTIOSDWIFNYPK-UHFFFAOYSA-N
XLogP3.76
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide (CID 4836019) is N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide is CCOc1ccc(NC(=O)CN(C)c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide?
The InChIKey is WBTIOSDWIFNYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O5S/c1-8-32-21-12-10-19(14-22(21)33-9-2)26-24(29)16-27(7)23-13-11-20(15-25-23)34(30,31)28(17(3)4)18(5)6/h10-15,17-18H,8-9,16H2,1-7H3,(H,26,29).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide?
N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide has a molecular weight of 492.64 g/mol, XLogP of 3.76, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide is sourced from PubChem (CID 4836019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).