3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide

C20H25NO5S — CID 112522253

IUPAC3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide
SMILESCOc1ccc(CC(C)C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1OC
InChIInChI=1S/C20H25NO5S/c1-14(11-16-7-10-18(25-2)19(12-16)26-3)20(22)21-13-15-5-8-17(9-6-15)27(4,23)24/h5-10,12,14H,11,13H2,1-4H3,(H,21,22)
InChIKeyYDCMWPWRMKHGDY-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.60
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide

3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide (PubChem CID 112522253) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide
PubChem CID112522253
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Name3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide
SMILESCOc1ccc(CC(C)C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1OC
InChIInChI=1S/C20H25NO5S/c1-14(11-16-7-10-18(25-2)19(12-16)26-3)20(22)21-13-15-5-8-17(9-6-15)27(4,23)24/h5-10,12,14H,11,13H2,1-4H3,(H,21,22)
InChIKeyYDCMWPWRMKHGDY-UHFFFAOYSA-N
XLogP2.60
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 112522401
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 47191115
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylpropanamide
CID 94025525
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide
CID 80542148
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 27647424
4-amino-2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 80543738
(2S)-2-amino-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 78977442
3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 112529669
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
(2R)-N-benzyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538141
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43872765

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide (CID 112522253) is 3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide is COc1ccc(CC(C)C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide?
The InChIKey is YDCMWPWRMKHGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-14(11-16-7-10-18(25-2)19(12-16)26-3)20(22)21-13-15-5-8-17(9-6-15)27(4,23)24/h5-10,12,14H,11,13H2,1-4H3,(H,21,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide?
3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide has a molecular weight of 391.49 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-methyl-N-[(4-methylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 112522253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).