N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide

C20H25NO5S — CID 110356474

IUPACN-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)CCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H25NO5S/c1-15-4-6-16(7-5-15)8-11-20(22)21-12-13-27(23,24)17-9-10-18(25-2)19(14-17)26-3/h4-7,9-10,14H,8,11-13H2,1-3H3,(H,21,22)
InChIKeyNOVNEKAMAFFZRW-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.53
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide

N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide (PubChem CID 110356474) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide
PubChem CID110356474
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)CCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H25NO5S/c1-15-4-6-16(7-5-15)8-11-20(22)21-12-13-27(23,24)17-9-10-18(25-2)19(14-17)26-3/h4-7,9-10,14H,8,11-13H2,1-3H3,(H,21,22)
InChIKeyNOVNEKAMAFFZRW-UHFFFAOYSA-N
XLogP2.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]propanamide
CID 110357908
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]acetamide
CID 110357937
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108574295
3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110310348
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2548359
phenyl N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]carbamate
CID 110357956
N-[4-(4-methylphenyl)butyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110307738
N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119497210
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2950024
3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121489
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-phenylbutanamide
CID 110607851
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide (CID 110356474) is N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide is COc1ccc(S(=O)(=O)CCNC(=O)CCc2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is NOVNEKAMAFFZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-15-4-6-16(7-5-15)8-11-20(22)21-12-13-27(23,24)17-9-10-18(25-2)19(14-17)26-3/h4-7,9-10,14H,8,11-13H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide?
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 391.49 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110356474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).