2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride

C15H25ClN2O4S — CID 119956686

IUPAC2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride
SMILESCN(CCCOc1ccccc1)C(=O)C(N)CCS(C)(=O)=O.Cl
InChIInChI=1S/C15H24N2O4S.ClH/c1-17(15(18)14(16)9-12-22(2,19)20)10-6-11-21-13-7-4-3-5-8-13;/h3-5,7-8,14H,6,9-12,16H2,1-2H3;1H
InChIKeyMPTSODUMPSJZNQ-UHFFFAOYSA-N
MW364.90 g/mol
LogP1.10
Rot. Bonds9

About 2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride

2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride (PubChem CID 119956686) has the molecular formula C15H25ClN2O4S and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride
PubChem CID119956686
Molecular FormulaC15H25ClN2O4S
Molecular Weight364.90 g/mol
Exact Mass364.12
IUPAC Name2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride
SMILESCN(CCCOc1ccccc1)C(=O)C(N)CCS(C)(=O)=O.Cl
InChIInChI=1S/C15H24N2O4S.ClH/c1-17(15(18)14(16)9-12-22(2,19)20)10-6-11-21-13-7-4-3-5-8-13;/h3-5,7-8,14H,6,9-12,16H2,1-2H3;1H
InChIKeyMPTSODUMPSJZNQ-UHFFFAOYSA-N
XLogP1.10
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 119956183
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119306190
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide
CID 119306189
(2S)-2-amino-N,3,3-trimethyl-N-(3-phenoxypropyl)butanamide
CID 61162984
(2S)-2-amino-N,4-dimethyl-N-[3-(3-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119753772
(2S)-2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306168
2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide
CID 55125595
(2S)-2-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306134
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
CID 43271338
6-methylsulfonyl-1-phenoxyhexan-3-amine
CID 63192307
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride (CID 119956686) is 2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride is CN(CCCOc1ccccc1)C(=O)C(N)CCS(C)(=O)=O.Cl.
What is the InChIKey of 2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride?
The InChIKey is MPTSODUMPSJZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S.ClH/c1-17(15(18)14(16)9-12-22(2,19)20)10-6-11-21-13-7-4-3-5-8-13;/h3-5,7-8,14H,6,9-12,16H2,1-2H3;1H.
What are the key properties of 2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride?
2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 1.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride is sourced from PubChem (CID 119956686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).