2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide

C17H21N3O3S — CID 2979813

IUPAC2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)NCc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H21N3O3S/c1-13-6-8-16(9-7-13)20(24(3,22)23)14(2)17(21)19-12-15-5-4-10-18-11-15/h4-11,14H,12H2,1-3H3,(H,19,21)
InChIKeyQBLCBRZLNYXDIB-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.86
Rot. Bonds6

About 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide

2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 2979813) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID2979813
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1ccc(N(C(C)C(=O)NCc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H21N3O3S/c1-13-6-8-16(9-7-13)20(24(3,22)23)14(2)17(21)19-12-15-5-4-10-18-11-15/h4-11,14H,12H2,1-3H3,(H,19,21)
InChIKeyQBLCBRZLNYXDIB-UHFFFAOYSA-N
XLogP1.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze 2-(4-methyl-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

2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 53281365
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
2-(4-methyl-N-methylsulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 133160439
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 132664793
(2S)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 1079324
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 40690950
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
CID 132661818
N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 132659087
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124550781
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 132664806
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416717
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416716

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 2979813) is 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide is Cc1ccc(N(C(C)C(=O)NCc2cccnc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is QBLCBRZLNYXDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13-6-8-16(9-7-13)20(24(3,22)23)14(2)17(21)19-12-15-5-4-10-18-11-15/h4-11,14H,12H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide?
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 2979813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).