2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride

C18H23ClN2O3S — CID 120667950

IUPAC2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCS(=O)(=O)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-14-8-10-15(11-9-14)17(19)18(21)20-12-5-13-24(22,23)16-6-3-2-4-7-16;/h2-4,6-11,17H,5,12-13,19H2,1H3,(H,20,21);1H
InChIKeyUWHLYZWNNLWZSL-UHFFFAOYSA-N
MW382.91 g/mol
LogP2.40
Rot. Bonds7

About 2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride

2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 120667950) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is 2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride
PubChem CID120667950
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC Name2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCS(=O)(=O)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-14-8-10-15(11-9-14)17(19)18(21)20-12-5-13-24(22,23)16-6-3-2-4-7-16;/h2-4,6-11,17H,5,12-13,19H2,1H3,(H,20,21);1H
InChIKeyUWHLYZWNNLWZSL-UHFFFAOYSA-N
XLogP2.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-anilinopropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669990
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 120666814
2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
CID 120667657
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669868
2-amino-N-(2-ethylsulfonylethyl)-2-phenylacetamide
CID 113264121
2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride
CID 120670104
2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride
CID 119852800
1-[3-(benzenesulfonyl)propyl]-3-[(2S)-3-methylbutan-2-yl]urea
CID 95156784
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700
2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
CID 106312957

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride (CID 120667950) is 2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(C(N)C(=O)NCCCS(=O)(=O)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is UWHLYZWNNLWZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S.ClH/c1-14-8-10-15(11-9-14)17(19)18(21)20-12-5-13-24(22,23)16-6-3-2-4-7-16;/h2-4,6-11,17H,5,12-13,19H2,1H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride?
2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 382.91 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120667950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).