2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride

C15H24Cl2N2O4S — CID 119957708

IUPAC2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCCC(CNC(=O)C(N)CCS(C)(=O)=O)Oc1ccccc1Cl.Cl
InChIInChI=1S/C15H23ClN2O4S.ClH/c1-3-11(22-14-7-5-4-6-12(14)16)10-18-15(19)13(17)8-9-23(2,20)21;/h4-7,11,13H,3,8-10,17H2,1-2H3,(H,18,19);1H
InChIKeySMXHQJDGAXHFKD-UHFFFAOYSA-N
MW399.34 g/mol
LogP1.80
Rot. Bonds9

About 2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride

2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride (PubChem CID 119957708) has the molecular formula C15H24Cl2N2O4S and a molecular weight of 399.34 g/mol. Its IUPAC name is 2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride
PubChem CID119957708
Molecular FormulaC15H24Cl2N2O4S
Molecular Weight399.34 g/mol
Exact Mass398.08
IUPAC Name2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCCC(CNC(=O)C(N)CCS(C)(=O)=O)Oc1ccccc1Cl.Cl
InChIInChI=1S/C15H23ClN2O4S.ClH/c1-3-11(22-14-7-5-4-6-12(14)16)10-18-15(19)13(17)8-9-23(2,20)21;/h4-7,11,13H,3,8-10,17H2,1-2H3,(H,18,19);1H
InChIKeySMXHQJDGAXHFKD-UHFFFAOYSA-N
XLogP1.80
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
CID 119813247
3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide
CID 119340532
4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
CID 120593905
N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide
CID 119813227
N-[2-(2-chlorophenoxy)butyl]prop-2-enamide
CID 146089833
1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836600
2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
CID 119956068
(2S)-2-amino-4-methylsulfanyl-N-[2-[2-(trifluoromethyl)phenoxy]butyl]butanamide;hydrochloride
CID 119344754
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
2-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957690
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide
CID 119340597

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride (CID 119957708) is 2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride is CCC(CNC(=O)C(N)CCS(C)(=O)=O)Oc1ccccc1Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride?
The InChIKey is SMXHQJDGAXHFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S.ClH/c1-3-11(22-14-7-5-4-6-12(14)16)10-18-15(19)13(17)8-9-23(2,20)21;/h4-7,11,13H,3,8-10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride?
2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride has a molecular weight of 399.34 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 119957708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).