3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide

C18H23N3O5S — CID 113145189

IUPAC3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(N(CCC(=O)NCc2cccnc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H23N3O5S/c1-25-16-7-6-15(11-17(16)26-2)21(27(3,23)24)10-8-18(22)20-13-14-5-4-9-19-12-14/h4-7,9,11-12H,8,10,13H2,1-3H3,(H,20,22)
InChIKeyGWSPFBDDFZJRRL-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.57
Rot. Bonds9

About 3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide

3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 113145189) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID113145189
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(N(CCC(=O)NCc2cccnc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H23N3O5S/c1-25-16-7-6-15(11-17(16)26-2)21(27(3,23)24)10-8-18(22)20-13-14-5-4-9-19-12-14/h4-7,9,11-12H,8,10,13H2,1-3H3,(H,20,22)
InChIKeyGWSPFBDDFZJRRL-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113143425
3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137660
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113142594
3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137826
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071
4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)butanamide
CID 53286875
3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113144695
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51344682
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113138115
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 1129943

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 113145189) is 3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide is COc1ccc(N(CCC(=O)NCc2cccnc2)S(C)(=O)=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is GWSPFBDDFZJRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-25-16-7-6-15(11-17(16)26-2)21(27(3,23)24)10-8-18(22)20-13-14-5-4-9-19-12-14/h4-7,9,11-12H,8,10,13H2,1-3H3,(H,20,22).
What are the key properties of 3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 393.47 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 113145189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).