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

C14H21FN2O3S — CID 113136920

IUPACN-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCC(C)CN(CCC(=O)Nc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-11(2)10-17(21(3,19)20)9-8-14(18)16-13-7-5-4-6-12(13)15/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyUABAIHAJJBFVMI-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.07
Rot. Bonds7

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

N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (PubChem CID 113136920) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
PubChem CID113136920
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCC(C)CN(CCC(=O)Nc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-11(2)10-17(21(3,19)20)9-8-14(18)16-13-7-5-4-6-12(13)15/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChIKeyUABAIHAJJBFVMI-UHFFFAOYSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136996
3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide
CID 113136736
3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide
CID 52675226
N-(3-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136966
N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136983
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methylphenyl)propanamide
CID 113141163
N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153470
2-[acetyl(2-methylpropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113158923
N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136950
N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136957
2-[2-methylpropyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113148570
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 113157644

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (CID 113136920) is N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is CC(C)CN(CCC(=O)Nc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The InChIKey is UABAIHAJJBFVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-11(2)10-17(21(3,19)20)9-8-14(18)16-13-7-5-4-6-12(13)15/h4-7,11H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide has a molecular weight of 316.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113136920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).