N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide

C15H23FN2O3S — CID 113143446

IUPACN-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S/c1-4-5-11-17(2)15(19)10-12-18(22(3,20)21)14-9-7-6-8-13(14)16/h6-9H,4-5,10-12H2,1-3H3
InChIKeyNOBVPSMSPRRJAX-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.24
Rot. Bonds8

About N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide

N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide (PubChem CID 113143446) has the molecular formula C15H23FN2O3S and a molecular weight of 330.42 g/mol. Its IUPAC name is N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
PubChem CID113143446
Molecular FormulaC15H23FN2O3S
Molecular Weight330.42 g/mol
Exact Mass330.14
IUPAC NameN-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C15H23FN2O3S/c1-4-5-11-17(2)15(19)10-12-18(22(3,20)21)14-9-7-6-8-13(14)16/h6-9H,4-5,10-12H2,1-3H3
InChIKeyNOBVPSMSPRRJAX-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide
CID 113154697
N-butyl-3-(2,3-dichloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113146626
N-butyl-3-(2,6-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 113142499
N-butyl-3-(4-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143908
N-butyl-3-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113144275
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154116
N-butyl-N-methyl-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143083
N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154582
N-butyl-3-(2-fluoroanilino)-N-methylpropanamide
CID 109032361
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
N-[(2S)-1-(butylamino)-1-oxopropan-2-yl]-4-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 100564499

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide?
The IUPAC name of N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide (CID 113143446) is N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide?
The canonical SMILES for N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide is CCCCN(C)C(=O)CCN(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide?
The InChIKey is NOBVPSMSPRRJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-4-5-11-17(2)15(19)10-12-18(22(3,20)21)14-9-7-6-8-13(14)16/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide?
N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide has a molecular weight of 330.42 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide is sourced from PubChem (CID 113143446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).