4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide

C15H22F2N2OS — CID 64712171

IUPAC4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)Sc1ccc(F)c(F)c1)C(N)=O
InChIInChI=1S/C15H22F2N2OS/c1-4-7-19-15(3,14(18)20)9-10(2)21-11-5-6-12(16)13(17)8-11/h5-6,8,10,19H,4,7,9H2,1-3H3,(H2,18,20)
InChIKeyKVMJDLCQIJFNEV-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.08
Rot. Bonds8

About 4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide

4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide (PubChem CID 64712171) has the molecular formula C15H22F2N2OS and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
PubChem CID64712171
Molecular FormulaC15H22F2N2OS
Molecular Weight316.42 g/mol
Exact Mass316.14
IUPAC Name4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)Sc1ccc(F)c(F)c1)C(N)=O
InChIInChI=1S/C15H22F2N2OS/c1-4-7-19-15(3,14(18)20)9-10(2)21-11-5-6-12(16)13(17)8-11/h5-6,8,10,19H,4,7,9H2,1-3H3,(H2,18,20)
InChIKeyKVMJDLCQIJFNEV-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide
CID 64709642
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
CID 64702917
2-methyl-4-propan-2-ylsulfanyl-2-(propylamino)pentanamide
CID 64709561
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 102925681
2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide
CID 64711254
4-ethylsulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64710629
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide
CID 64711312
4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanoic acid
CID 64710033
4-[(3-bromo-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentanamide
CID 64703758
2-methyl-2-(propylamino)-4-propylsulfanylpentanamide
CID 64711997
4-(3,4-difluorophenyl)sulfanylpentanehydrazide
CID 63582881
4-(3,4-difluorophenyl)sulfanylpentanoic acid
CID 62215056

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide?
The IUPAC name of 4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide (CID 64712171) is 4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide?
The canonical SMILES for 4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide is CCCNC(C)(CC(C)Sc1ccc(F)c(F)c1)C(N)=O.
What is the InChIKey of 4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide?
The InChIKey is KVMJDLCQIJFNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2OS/c1-4-7-19-15(3,14(18)20)9-10(2)21-11-5-6-12(16)13(17)8-11/h5-6,8,10,19H,4,7,9H2,1-3H3,(H2,18,20).
What are the key properties of 4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide?
4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide has a molecular weight of 316.42 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide is sourced from PubChem (CID 64712171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).