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

C13H16F2N2O3S — CID 113136415

IUPAC3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C13H16F2N2O3S/c1-21(19,20)17(10-3-4-10)7-6-13(18)16-12-5-2-9(14)8-11(12)15/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,18)
InChIKeyXWFVNWRGTSZTGE-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.72
Rot. Bonds6

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

3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide (PubChem CID 113136415) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
PubChem CID113136415
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC Name3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C13H16F2N2O3S/c1-21(19,20)17(10-3-4-10)7-6-13(18)16-12-5-2-9(14)8-11(12)15/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,18)
InChIKeyXWFVNWRGTSZTGE-UHFFFAOYSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113148994
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136363
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136419
3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136791
3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113136332
N-(2-amino-4-fluorophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43263780
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2,4-difluorophenyl)acetamide
CID 126062232
N-(3-chloro-4-fluorophenyl)-3-[cyclopentyl(methylsulfonyl)amino]propanamide
CID 113137304
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144844
3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
CID 113136334
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136418
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113136395

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide (CID 113136415) is 3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide is CS(=O)(=O)N(CCC(=O)Nc1ccc(F)cc1F)C1CC1.
What is the InChIKey of 3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is XWFVNWRGTSZTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c1-21(19,20)17(10-3-4-10)7-6-13(18)16-12-5-2-9(14)8-11(12)15/h2,5,8,10H,3-4,6-7H2,1H3,(H,16,18).
What are the key properties of 3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide?
3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 318.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 113136415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).