3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide

C23H32N2O5S — CID 43873897

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(C)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C23H32N2O5S/c1-6-25(7-2)31(27,28)20-12-8-18(9-13-20)10-15-23(26)24-17(3)19-11-14-21(29-4)22(16-19)30-5/h8-9,11-14,16-17H,6-7,10,15H2,1-5H3,(H,24,26)
InChIKeyNDIKHYXHHHNZQT-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.54
Rot. Bonds11

About 3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 43873897) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID43873897
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(C)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C23H32N2O5S/c1-6-25(7-2)31(27,28)20-12-8-18(9-13-20)10-15-23(26)24-17(3)19-11-14-21(29-4)22(16-19)30-5/h8-9,11-14,16-17H,6-7,10,15H2,1-5H3,(H,24,26)
InChIKeyNDIKHYXHHHNZQT-UHFFFAOYSA-N
XLogP3.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557368
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 125044508
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 28547921
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43872685
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(4-methylphenyl)butanamide
CID 55773914
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28547602
3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902128

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 43873897) is 3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC(C)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is NDIKHYXHHHNZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-6-25(7-2)31(27,28)20-12-8-18(9-13-20)10-15-23(26)24-17(3)19-11-14-21(29-4)22(16-19)30-5/h8-9,11-14,16-17H,6-7,10,15H2,1-5H3,(H,24,26).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 448.59 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 43873897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).