N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide

C23H32N2O5S — CID 2950024

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1OC
InChIInChI=1S/C23H32N2O5S/c1-17(2)16-25-31(27,28)20-9-5-18(6-10-20)8-12-23(26)24-14-13-19-7-11-21(29-3)22(15-19)30-4/h5-7,9-11,15,17,25H,8,12-14,16H2,1-4H3,(H,24,26)
InChIKeyOPMXHRBHOVSRHQ-UHFFFAOYSA-N
MW448.59 g/mol
LogP2.93
Rot. Bonds12

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (PubChem CID 2950024) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
PubChem CID2950024
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1OC
InChIInChI=1S/C23H32N2O5S/c1-17(2)16-25-31(27,28)20-9-5-18(6-10-20)8-12-23(26)24-14-13-19-7-11-21(29-3)22(15-19)30-4/h5-7,9-11,15,17,25H,8,12-14,16H2,1-4H3,(H,24,26)
InChIKeyOPMXHRBHOVSRHQ-UHFFFAOYSA-N
XLogP2.93
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 52.93
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
2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
CID 30125477
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420
N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211084
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 43873798
N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 5055466
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108574295
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524
3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 895367
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (CID 2950024) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The InChIKey is OPMXHRBHOVSRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-17(2)16-25-31(27,28)20-9-5-18(6-10-20)8-12-23(26)24-14-13-19-7-11-21(29-3)22(15-19)30-4/h5-7,9-11,15,17,25H,8,12-14,16H2,1-4H3,(H,24,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide has a molecular weight of 448.59 g/mol, XLogP of 2.93, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2950024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).