3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide

C14H21FN2O3S — CID 113136736

IUPAC3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-3-4-10-17(21(2,19)20)11-9-14(18)16-13-8-6-5-7-12(13)15/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyUNFXMQJTOOINAI-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.22
Rot. Bonds8

About 3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide

3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide (PubChem CID 113136736) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide
PubChem CID113136736
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-3-4-10-17(21(2,19)20)11-9-14(18)16-13-8-6-5-7-12(13)15/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyUNFXMQJTOOINAI-UHFFFAOYSA-N
XLogP2.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136791
N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153470
N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136920
3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113136792
N-(2-fluorophenyl)hexanamide
CID 3481165
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
CID 113141302
N-(2-fluorophenyl)butanamide
CID 849021
N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide
CID 113136785
N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285321
N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137918

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide (CID 113136736) is 3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide is CCCCN(CCC(=O)Nc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide?
The InChIKey is UNFXMQJTOOINAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-3-4-10-17(21(2,19)20)11-9-14(18)16-13-8-6-5-7-12(13)15/h5-8H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of 3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide?
3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide has a molecular weight of 316.40 g/mol, XLogP of 2.22, 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-fluorophenyl)propanamide is sourced from PubChem (CID 113136736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).