N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide

C18H23N3O5S — CID 113140115

IUPACN-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN(Cc2ccncc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H23N3O5S/c1-25-15-4-5-17(26-2)16(12-15)20-18(22)8-11-21(27(3,23)24)13-14-6-9-19-10-7-14/h4-7,9-10,12H,8,11,13H2,1-3H3,(H,20,22)
InChIKeySVBWHWZESFSZDO-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.89
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide

N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide (PubChem CID 113140115) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
PubChem CID113140115
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN(Cc2ccncc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H23N3O5S/c1-25-15-4-5-17(26-2)16(12-15)20-18(22)8-11-21(27(3,23)24)13-14-6-9-19-10-7-14/h4-7,9-10,12H,8,11,13H2,1-3H3,(H,20,22)
InChIKeySVBWHWZESFSZDO-UHFFFAOYSA-N
XLogP1.89
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113163882
N-(2,5-dimethoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024024
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113120669
3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
CID 113140070
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide
CID 113139525
N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide
CID 113151798
N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140138
N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140134
N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141702
3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 113067429
3,5-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 113067425

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide (CID 113140115) is N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide is COc1ccc(OC)c(NC(=O)CCN(Cc2ccncc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The InChIKey is SVBWHWZESFSZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-25-15-4-5-17(26-2)16(12-15)20-18(22)8-11-21(27(3,23)24)13-14-6-9-19-10-7-14/h4-7,9-10,12H,8,11,13H2,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide has a molecular weight of 393.47 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide is sourced from PubChem (CID 113140115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).