N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide

C23H33N3O6S — CID 55931330

IUPACN-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)cc1OC
InChIInChI=1S/C23H33N3O6S/c1-6-26(7-2)12-13-32-19-10-8-17(14-21(19)31-5)16-25-23(27)18-9-11-20(30-4)22(15-18)33(28,29)24-3/h8-11,14-15,24H,6-7,12-13,16H2,1-5H3,(H,25,27)
InChIKeyVHYDTGUSPUWCNX-UHFFFAOYSA-N
MW479.60 g/mol
LogP2.26
Rot. Bonds13

About N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide

N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 55931330) has the molecular formula C23H33N3O6S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID55931330
Molecular FormulaC23H33N3O6S
Molecular Weight479.60 g/mol
Exact Mass479.21
IUPAC NameN-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)cc1OC
InChIInChI=1S/C23H33N3O6S/c1-6-26(7-2)12-13-32-19-10-8-17(14-21(19)31-5)16-25-23(27)18-9-11-20(30-4)22(15-18)33(28,29)24-3/h8-11,14-15,24H,6-7,12-13,16H2,1-5H3,(H,25,27)
InChIKeyVHYDTGUSPUWCNX-UHFFFAOYSA-N
XLogP2.26
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
CID 55931191
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587
4-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20992977
2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide
CID 55931317
3-(tert-butylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 31610027
4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 34637912
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60547647
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55930691
4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide
CID 55812224
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide (CID 55931330) is N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide is CCN(CC)CCOc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)cc1OC.
What is the InChIKey of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is VHYDTGUSPUWCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O6S/c1-6-26(7-2)12-13-32-19-10-8-17(14-21(19)31-5)16-25-23(27)18-9-11-20(30-4)22(15-18)33(28,29)24-3/h8-11,14-15,24H,6-7,12-13,16H2,1-5H3,(H,25,27).
What are the key properties of N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 479.60 g/mol, XLogP of 2.26, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55931330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).