N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide

C21H28N2O5S — CID 1211084

IUPACN-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1
InChIInChI=1S/C21H28N2O5S/c1-15(2)14-22-29(25,26)18-9-5-16(6-10-18)7-12-21(24)23-19-13-17(27-3)8-11-20(19)28-4/h5-6,8-11,13,15,22H,7,12,14H2,1-4H3,(H,23,24)
InChIKeyFHCVZRKKZIUKSN-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.21
Rot. Bonds10

About N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide

N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (PubChem CID 1211084) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
PubChem CID1211084
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1
InChIInChI=1S/C21H28N2O5S/c1-15(2)14-22-29(25,26)18-9-5-16(6-10-18)7-12-21(24)23-19-13-17(27-3)8-11-20(19)28-4/h5-6,8-11,13,15,22H,7,12,14H2,1-4H3,(H,23,24)
InChIKeyFHCVZRKKZIUKSN-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 39755109
N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211041
N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 5055466
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2950024
N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 27211549
3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 126237309
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 43873798
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-[4-(ethylsulfamoyl)phenyl]-N-(2-methoxyphenyl)propanamide
CID 2227902
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (CID 1211084) is N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is COc1ccc(OC)c(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The InChIKey is FHCVZRKKZIUKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-15(2)14-22-29(25,26)18-9-5-16(6-10-18)7-12-21(24)23-19-13-17(27-3)8-11-20(19)28-4/h5-6,8-11,13,15,22H,7,12,14H2,1-4H3,(H,23,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide has a molecular weight of 420.53 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1211084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).