3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide

C14H20F2N2O3S — CID 113136791

IUPAC3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O
InChIInChI=1S/C14H20F2N2O3S/c1-3-4-8-18(22(2,20)21)9-7-14(19)17-13-6-5-11(15)10-12(13)16/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyVNBKNWQKJDJYSD-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.36
Rot. Bonds8

About 3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide

3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide (PubChem CID 113136791) has the molecular formula C14H20F2N2O3S and a molecular weight of 334.39 g/mol. Its IUPAC name is 3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
PubChem CID113136791
Molecular FormulaC14H20F2N2O3S
Molecular Weight334.39 g/mol
Exact Mass334.12
IUPAC Name3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O
InChIInChI=1S/C14H20F2N2O3S/c1-3-4-8-18(22(2,20)21)9-7-14(19)17-13-6-5-11(15)10-12(13)16/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyVNBKNWQKJDJYSD-UHFFFAOYSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)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

3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide
CID 113136736
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113123156
3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136415
N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide
CID 113136785
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144844
3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113136792
N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 21373041
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479
N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135966

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide (CID 113136791) is 3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide is CCCCN(CCC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O.
What is the InChIKey of 3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is VNBKNWQKJDJYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3S/c1-3-4-8-18(22(2,20)21)9-7-14(19)17-13-6-5-11(15)10-12(13)16/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19).
What are the key properties of 3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide?
3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 334.39 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 113136791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).