5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride

C19H25ClN2O4S — CID 120626191

IUPAC5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C19H24N2O4S.ClH/c1-14-5-6-15(20)13-18(14)19(22)21(2)11-4-12-25-16-7-9-17(10-8-16)26(3,23)24;/h5-10,13H,4,11-12,20H2,1-3H3;1H
InChIKeyGXLFHKHGLRRBFX-UHFFFAOYSA-N
MW412.94 g/mol
LogP2.94
Rot. Bonds7

About 5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride

5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride (PubChem CID 120626191) has the molecular formula C19H25ClN2O4S and a molecular weight of 412.94 g/mol. Its IUPAC name is 5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride
PubChem CID120626191
Molecular FormulaC19H25ClN2O4S
Molecular Weight412.94 g/mol
Exact Mass412.12
IUPAC Name5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C19H24N2O4S.ClH/c1-14-5-6-15(20)13-18(14)19(22)21(2)11-4-12-25-16-7-9-17(10-8-16)26(3,23)24;/h5-10,13H,4,11-12,20H2,1-3H3;1H
InChIKeyGXLFHKHGLRRBFX-UHFFFAOYSA-N
XLogP2.94
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.94
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618208
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618
(2S)-2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306168
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide;hydrochloride
CID 119306190
4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide
CID 119306199
2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide
CID 119753811
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
2-(2-aminoethyl)-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120626193
2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-2-phenylacetamide
CID 119306189
5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride
CID 120622289
N-[2-(4-aminophenyl)ethyl]-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 119549391

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride?
The IUPAC name of 5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride (CID 120626191) is 5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of 5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride?
The InChIKey is GXLFHKHGLRRBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S.ClH/c1-14-5-6-15(20)13-18(14)19(22)21(2)11-4-12-25-16-7-9-17(10-8-16)26(3,23)24;/h5-10,13H,4,11-12,20H2,1-3H3;1H.
What are the key properties of 5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride?
5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride has a molecular weight of 412.94 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120626191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).