N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide

C13H18F2N2OS — CID 62851819

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C13H18F2N2OS/c1-3-16-8-9(2)12(18)17-10-4-6-11(7-5-10)19-13(14)15/h4-7,9,13,16H,3,8H2,1-2H3,(H,17,18)
InChIKeyXWFQPDKDBPLZNI-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.19
Rot. Bonds7

About N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide

N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide (PubChem CID 62851819) has the molecular formula C13H18F2N2OS and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide
PubChem CID62851819
Molecular FormulaC13H18F2N2OS
Molecular Weight288.36 g/mol
Exact Mass288.11
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C13H18F2N2OS/c1-3-16-8-9(2)12(18)17-10-4-6-11(7-5-10)19-13(14)15/h4-7,9,13,16H,3,8H2,1-2H3,(H,17,18)
InChIKeyXWFQPDKDBPLZNI-UHFFFAOYSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride
CID 119669009
4-[4-(difluoromethylsulfanyl)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496914
N,N'-bis[4-(difluoromethylsulfanyl)phenyl]-2-hexadecylpropanediamide
CID 21203392
3-(ethylamino)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838562
(2S)-2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylbutanamide
CID 7944876
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616
3-[4-(difluoromethylsulfanyl)phenyl]-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010057
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
[(2S)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 8737141
N-[4-(difluoromethylsulfanyl)phenyl]-2-phenoxypropanamide
CID 43011433
4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide
CID 62853093
[(2R)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8994548

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide (CID 62851819) is N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide?
The InChIKey is XWFQPDKDBPLZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2OS/c1-3-16-8-9(2)12(18)17-10-4-6-11(7-5-10)19-13(14)15/h4-7,9,13,16H,3,8H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide?
N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide has a molecular weight of 288.36 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62851819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).