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

C17H21N3O3S — CID 113141766

IUPAC3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cccc(N(CCC(=O)NCc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H21N3O3S/c1-14-6-5-8-16(12-14)20(24(2,22)23)11-9-17(21)19-13-15-7-3-4-10-18-15/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,21)
InChIKeyNFJIZZPLAGOAQV-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.86
Rot. Bonds7

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

3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 113141766) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID113141766
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cccc(N(CCC(=O)NCc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H21N3O3S/c1-14-6-5-8-16(12-14)20(24(2,22)23)11-9-17(21)19-13-15-7-3-4-10-18-15/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,21)
InChIKeyNFJIZZPLAGOAQV-UHFFFAOYSA-N
XLogP1.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144597
3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023305
3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144323
4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)butanamide
CID 53286844
N-benzyl-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285343
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113155724
3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide
CID 113141855
3-(3-acetyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113145325
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285488
N-[(4-chlorophenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285185

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide (CID 113141766) is 3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide is Cc1cccc(N(CCC(=O)NCc2ccccn2)S(C)(=O)=O)c1.
What is the InChIKey of 3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is NFJIZZPLAGOAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-14-6-5-8-16(12-14)20(24(2,22)23)11-9-17(21)19-13-15-7-3-4-10-18-15/h3-8,10,12H,9,11,13H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 113141766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).