2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide

C10H12F2N2OS — CID 63033564

IUPAC2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide
SMILESNC(=O)C(N)CCSc1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2OS/c11-7-2-1-6(5-8(7)12)16-4-3-9(13)10(14)15/h1-2,5,9H,3-4,13H2,(H2,14,15)
InChIKeyFTBVVFCHARWZQZ-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.26
Rot. Bonds5

About 2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide

2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide (PubChem CID 63033564) has the molecular formula C10H12F2N2OS and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide.

Molecular Properties

Compound Name2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide
PubChem CID63033564
Molecular FormulaC10H12F2N2OS
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide
SMILESNC(=O)C(N)CCSc1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2OS/c11-7-2-1-6(5-8(7)12)16-4-3-9(13)10(14)15/h1-2,5,9H,3-4,13H2,(H2,14,15)
InChIKeyFTBVVFCHARWZQZ-UHFFFAOYSA-N
XLogP1.26
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-phenylsulfanylbutanamide
CID 63033398
2-amino-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)butanamide
CID 63033798
5-(3,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615787
2-(3,4-difluorophenyl)sulfanylethanol
CID 43392369
ethyl 4-(3,4-difluorophenyl)sulfanyl-2-(propylamino)butanoate
CID 63033565
5-(3,4-difluorophenyl)sulfanylpentan-2-one
CID 43425972
2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]-4-hydroxybutanoic acid
CID 61244211
5-(3,4-difluorophenyl)sulfanyl-2,2-dimethylpentanoic acid
CID 65260281
2-amino-4-(2,4-difluorophenoxy)butanamide
CID 63038942
(2R)-2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]pentanoic acid
CID 107563664
4-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-one
CID 43224909
methyl 2-amino-4-(2,5-difluorophenyl)sulfanylbutanoate
CID 63034697

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide?
The IUPAC name of 2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide (CID 63033564) is 2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide.
What is the SMILES notation for 2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide?
The canonical SMILES for 2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide is NC(=O)C(N)CCSc1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide?
The InChIKey is FTBVVFCHARWZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2OS/c11-7-2-1-6(5-8(7)12)16-4-3-9(13)10(14)15/h1-2,5,9H,3-4,13H2,(H2,14,15).
What are the key properties of 2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide?
2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide has a molecular weight of 246.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-difluorophenyl)sulfanylbutanamide is sourced from PubChem (CID 63033564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).