N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

C24H34N2O6S — CID 133199388

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCCOc1ccc(C(C)NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1OCC
InChIInChI=1S/C24H34N2O6S/c1-7-31-22-12-9-18(16-23(22)32-8-2)17(3)25-24(27)14-10-19-15-20(11-13-21(19)30-6)33(28,29)26(4)5/h9,11-13,15-17H,7-8,10,14H2,1-6H3,(H,25,27)
InChIKeyKQJNOPLAVDQMHD-UHFFFAOYSA-N
MW478.61 g/mol
LogP3.55
Rot. Bonds12

About N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide

N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 133199388) has the molecular formula C24H34N2O6S and a molecular weight of 478.61 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID133199388
Molecular FormulaC24H34N2O6S
Molecular Weight478.61 g/mol
Exact Mass478.21
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCCOc1ccc(C(C)NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1OCC
InChIInChI=1S/C24H34N2O6S/c1-7-31-22-12-9-18(16-23(22)32-8-2)17(3)25-24(27)14-10-19-15-20(11-13-21(19)30-6)33(28,29)26(4)5/h9,11-13,15-17H,7-8,10,14H2,1-6H3,(H,25,27)
InChIKeyKQJNOPLAVDQMHD-UHFFFAOYSA-N
XLogP3.55
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100754253
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557368
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 133191791
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 43873897
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414728
4-(4-acetyl-2-methoxyphenoxy)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 55892746
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
N-[4-(diethylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100678955

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide (CID 133199388) is N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is CCOc1ccc(C(C)NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is KQJNOPLAVDQMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6S/c1-7-31-22-12-9-18(16-23(22)32-8-2)17(3)25-24(27)14-10-19-15-20(11-13-21(19)30-6)33(28,29)26(4)5/h9,11-13,15-17H,7-8,10,14H2,1-6H3,(H,25,27).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide has a molecular weight of 478.61 g/mol, XLogP of 3.55, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 133199388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).