2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride

C15H24ClFN2O3S — CID 119957543

IUPAC2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCC(C)(CNC(=O)C(N)CCS(C)(=O)=O)c1cccc(F)c1.Cl
InChIInChI=1S/C15H23FN2O3S.ClH/c1-15(2,11-5-4-6-12(16)9-11)10-18-14(19)13(17)7-8-22(3,20)21;/h4-6,9,13H,7-8,10,17H2,1-3H3,(H,18,19);1H
InChIKeyPDAJIYNILNDZJU-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.40
Rot. Bonds7

About 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride

2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride (PubChem CID 119957543) has the molecular formula C15H24ClFN2O3S and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride
PubChem CID119957543
Molecular FormulaC15H24ClFN2O3S
Molecular Weight366.89 g/mol
Exact Mass366.12
IUPAC Name2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCC(C)(CNC(=O)C(N)CCS(C)(=O)=O)c1cccc(F)c1.Cl
InChIInChI=1S/C15H23FN2O3S.ClH/c1-15(2,11-5-4-6-12(16)9-11)10-18-14(19)13(17)7-8-22(3,20)21;/h4-6,9,13H,7-8,10,17H2,1-3H3,(H,18,19);1H
InChIKeyPDAJIYNILNDZJU-UHFFFAOYSA-N
XLogP1.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4142944
N-butyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide
CID 4148316
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CID 4780402
3-[(2-fluorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 15995967
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CID 20968387
2-Amino-N-(1-benzyl-3-methanesulfonyl-allyl)-acetamide
CID 44268431
2-[(4-fluorophenyl)methylsulfonyl]-N-(2-oxoazepan-3-yl)acetamide
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N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-ethylsulfonylacetamide
CID 53560752
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 53590844
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2-(2-fluorophenyl)acetamide
CID 53594458

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride (CID 119957543) is 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride is CC(C)(CNC(=O)C(N)CCS(C)(=O)=O)c1cccc(F)c1.Cl.
What is the InChIKey of 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride?
The InChIKey is PDAJIYNILNDZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S.ClH/c1-15(2,11-5-4-6-12(16)9-11)10-18-14(19)13(17)7-8-22(3,20)21;/h4-6,9,13H,7-8,10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride?
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 119957543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).