3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide

C18H23N3O4S — CID 113144884

IUPAC3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCCOc1ccc(N(CCC(=O)NCc2ccncc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-25-17-6-4-16(5-7-17)21(26(2,23)24)13-10-18(22)20-14-15-8-11-19-12-9-15/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,20,22)
InChIKeyVFQILWYKQQHLIS-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.95
Rot. Bonds9

About 3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide

3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113144884) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113144884
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
SMILESCCOc1ccc(N(CCC(=O)NCc2ccncc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-25-17-6-4-16(5-7-17)21(26(2,23)24)13-10-18(22)20-14-15-8-11-19-12-9-15/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,20,22)
InChIKeyVFQILWYKQQHLIS-UHFFFAOYSA-N
XLogP1.95
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-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

4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113141907
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 113144856
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 1129567
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144201
4-(2-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
CID 53286560
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53286601
3-(2-ethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113142705
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 6493165
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113147134
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide (CID 113144884) is 3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide is CCOc1ccc(N(CCC(=O)NCc2ccncc2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is VFQILWYKQQHLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-25-17-6-4-16(5-7-17)21(26(2,23)24)13-10-18(22)20-14-15-8-11-19-12-9-15/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,20,22).
What are the key properties of 3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide?
3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 377.47 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113144884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).