2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride

C14H24ClN3O4S — CID 119754250

IUPAC2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)CNCCOC)cc1.Cl
InChIInChI=1S/C14H23N3O4S.ClH/c1-3-10-22(19,20)17-13-6-4-12(5-7-13)16-14(18)11-15-8-9-21-2;/h4-7,15,17H,3,8-11H2,1-2H3,(H,16,18);1H
InChIKeyDTVGYNVKPROKAE-UHFFFAOYSA-N
MW365.88 g/mol
LogP1.43
Rot. Bonds10

About 2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride (PubChem CID 119754250) has the molecular formula C14H24ClN3O4S and a molecular weight of 365.88 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride
PubChem CID119754250
Molecular FormulaC14H24ClN3O4S
Molecular Weight365.88 g/mol
Exact Mass365.12
IUPAC Name2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(NC(=O)CNCCOC)cc1.Cl
InChIInChI=1S/C14H23N3O4S.ClH/c1-3-10-22(19,20)17-13-6-4-12(5-7-13)16-14(18)11-15-8-9-21-2;/h4-7,15,17H,3,8-11H2,1-2H3,(H,16,18);1H
InChIKeyDTVGYNVKPROKAE-UHFFFAOYSA-N
XLogP1.43
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393
2-(2-methoxyethylamino)-N-[3-(propylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119795017
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 119745719
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
ethyl 4-[[2-(2-methoxyethylamino)acetyl]amino]benzoate;hydrochloride
CID 119672462
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119800501
N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119800492
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676558

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride (CID 119754250) is 2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride is CCCS(=O)(=O)Nc1ccc(NC(=O)CNCCOC)cc1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride?
The InChIKey is DTVGYNVKPROKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S.ClH/c1-3-10-22(19,20)17-13-6-4-12(5-7-13)16-14(18)11-15-8-9-21-2;/h4-7,15,17H,3,8-11H2,1-2H3,(H,16,18);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride has a molecular weight of 365.88 g/mol, XLogP of 1.43, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119754250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).