3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide

C17H21N3O4S — CID 113144597

IUPAC3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1cccc(N(CCC(=O)NCc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H21N3O4S/c1-24-16-8-5-7-15(12-16)20(25(2,22)23)11-9-17(21)19-13-14-6-3-4-10-18-14/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,21)
InChIKeyHGRAXGDHVAPMAN-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.56
Rot. Bonds8

About 3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide

3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 113144597) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID113144597
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCOc1cccc(N(CCC(=O)NCc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H21N3O4S/c1-24-16-8-5-7-15(12-16)20(25(2,22)23)11-9-17(21)19-13-14-6-3-4-10-18-14/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,21)
InChIKeyHGRAXGDHVAPMAN-UHFFFAOYSA-N
XLogP1.56
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113141766
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 95118543
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 95118542
3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 113144562
2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 23800742
4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)butanamide
CID 53286844
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide
CID 95118832
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
N-[(4-fluorophenyl)methyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 53288234
N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472
3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144323
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide (CID 113144597) is 3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide is COc1cccc(N(CCC(=O)NCc2ccccn2)S(C)(=O)=O)c1.
What is the InChIKey of 3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is HGRAXGDHVAPMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-24-16-8-5-7-15(12-16)20(25(2,22)23)11-9-17(21)19-13-14-6-3-4-10-18-14/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 363.44 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 113144597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).