2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide

C15H20F2N2OS — CID 64709642

IUPAC2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide
SMILESCC(CC(C)(NC1CC1)C(N)=O)Sc1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2OS/c1-9(21-11-5-6-12(16)13(17)7-11)8-15(2,14(18)20)19-10-3-4-10/h5-7,9-10,19H,3-4,8H2,1-2H3,(H2,18,20)
InChIKeyQYJOCLSJNWAHEE-UHFFFAOYSA-N
MW314.40 g/mol
LogP2.83
Rot. Bonds7

About 2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide

2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide (PubChem CID 64709642) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide
PubChem CID64709642
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC Name2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide
SMILESCC(CC(C)(NC1CC1)C(N)=O)Sc1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2OS/c1-9(21-11-5-6-12(16)13(17)7-11)8-15(2,14(18)20)19-10-3-4-10/h5-7,9-10,19H,3-4,8H2,1-2H3,(H2,18,20)
InChIKeyQYJOCLSJNWAHEE-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64712171
N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine
CID 62576350
4-benzylsulfanyl-2-(cyclopropylamino)-2-methylpentanamide
CID 64709096
2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide
CID 64720260
4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide
CID 103289605
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)-2-methylpentanoic acid
CID 64720679
4-(3,4-difluorophenyl)sulfanylpentanehydrazide
CID 63582881
3-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)-2-methylpropanamide
CID 62647394
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide
CID 64711312
2-(cyclopropylamino)-2-methyl-4-phenoxypentanamide
CID 64706033
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64704367
4-(3,4-difluorophenyl)sulfanylpentanoic acid
CID 62215056

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide (CID 64709642) is 2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide is CC(CC(C)(NC1CC1)C(N)=O)Sc1ccc(F)c(F)c1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide?
The InChIKey is QYJOCLSJNWAHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-9(21-11-5-6-12(16)13(17)7-11)8-15(2,14(18)20)19-10-3-4-10/h5-7,9-10,19H,3-4,8H2,1-2H3,(H2,18,20).
What are the key properties of 2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide?
2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide has a molecular weight of 314.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide is sourced from PubChem (CID 64709642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).