2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide

C21H28N2O5S — CID 30125477

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC
InChIInChI=1S/C21H28N2O5S/c1-15(2)23-29(25,26)18-8-5-16(6-9-18)11-12-22-21(24)14-17-7-10-19(27-3)20(13-17)28-4/h5-10,13,15,23H,11-12,14H2,1-4H3,(H,22,24)
InChIKeyYSQDHHOVCQBNDU-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.29
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide (PubChem CID 30125477) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
PubChem CID30125477
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC
InChIInChI=1S/C21H28N2O5S/c1-15(2)23-29(25,26)18-8-5-16(6-9-18)11-12-22-21(24)14-17-7-10-19(27-3)20(13-17)28-4/h5-10,13,15,23H,11-12,14H2,1-4H3,(H,22,24)
InChIKeyYSQDHHOVCQBNDU-UHFFFAOYSA-N
XLogP2.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 40730942
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2950024
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 92698426
2-(3,4-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 16889439
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 42563714
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108575198
2-(4-fluorophenoxy)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
CID 30126016
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26826237
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 5233233
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide (CID 30125477) is 2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide is COc1ccc(CC(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide?
The InChIKey is YSQDHHOVCQBNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-15(2)23-29(25,26)18-8-5-16(6-9-18)11-12-22-21(24)14-17-7-10-19(27-3)20(13-17)28-4/h5-10,13,15,23H,11-12,14H2,1-4H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide has a molecular weight of 420.53 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 30125477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).