2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride

C18H22ClN3O4S — CID 119671802

IUPAC2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H21N3O4S.ClH/c19-15-6-4-14(5-7-15)12-18(22)20-16-2-1-3-17(13-16)26(23,24)21-8-10-25-11-9-21;/h1-7,13H,8-12,19H2,(H,20,22);1H
InChIKeyCUWUQUFYCWCTQU-UHFFFAOYSA-N
MW411.91 g/mol
LogP1.89
Rot. Bonds5

About 2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride

2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride (PubChem CID 119671802) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
PubChem CID119671802
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC Name2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H21N3O4S.ClH/c19-15-6-4-14(5-7-15)12-18(22)20-16-2-1-3-17(13-16)26(23,24)21-8-10-25-11-9-21;/h1-7,13H,8-12,19H2,(H,20,22);1H
InChIKeyCUWUQUFYCWCTQU-UHFFFAOYSA-N
XLogP1.89
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119678981
7-amino-N-(3-morpholin-4-ylsulfonylphenyl)heptanamide
CID 119671799
3-amino-N-(3-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide;hydrochloride
CID 119948702
3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 29203618
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 4854297
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119548741
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride (CID 119671802) is 2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride is Cl.Nc1ccc(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
The InChIKey is CUWUQUFYCWCTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S.ClH/c19-15-6-4-14(5-7-15)12-18(22)20-16-2-1-3-17(13-16)26(23,24)21-8-10-25-11-9-21;/h1-7,13H,8-12,19H2,(H,20,22);1H.
What are the key properties of 2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride has a molecular weight of 411.91 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119671802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).