3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide

C18H23N3O3S — CID 113142594

IUPAC3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cccc(N(CCC(=O)NCc2cccnc2)S(C)(=O)=O)c1C
InChIInChI=1S/C18H23N3O3S/c1-14-6-4-8-17(15(14)2)21(25(3,23)24)11-9-18(22)20-13-16-7-5-10-19-12-16/h4-8,10,12H,9,11,13H2,1-3H3,(H,20,22)
InChIKeyIULLBOUORBPGFO-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.17
Rot. Bonds7

About 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide

3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 113142594) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID113142594
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1cccc(N(CCC(=O)NCc2cccnc2)S(C)(=O)=O)c1C
InChIInChI=1S/C18H23N3O3S/c1-14-6-4-8-17(15(14)2)21(25(3,23)24)11-9-18(22)20-13-16-7-5-10-19-12-16/h4-8,10,12H,9,11,13H2,1-3H3,(H,20,22)
InChIKeyIULLBOUORBPGFO-UHFFFAOYSA-N
XLogP2.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113143425
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 3147408
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113069126
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286851
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113138115
3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113145189
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113142556
3-(2,3-dimethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023524
3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137660
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 100767592
3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137826
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113154047

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 113142594) is 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide is Cc1cccc(N(CCC(=O)NCc2cccnc2)S(C)(=O)=O)c1C.
What is the InChIKey of 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is IULLBOUORBPGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14-6-4-8-17(15(14)2)21(25(3,23)24)11-9-18(22)20-13-16-7-5-10-19-12-16/h4-8,10,12H,9,11,13H2,1-3H3,(H,20,22).
What are the key properties of 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 113142594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).