N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C14H24ClN3O5S — CID 119739356

IUPACN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNCCOC)cc1OC.Cl
InChIInChI=1S/C14H23N3O5S.ClH/c1-4-23(19,20)17-12-6-5-11(9-13(12)22-3)16-14(18)10-15-7-8-21-2;/h5-6,9,15,17H,4,7-8,10H2,1-3H3,(H,16,18);1H
InChIKeyQKSNHYHMCLYIKQ-UHFFFAOYSA-N
MW381.88 g/mol
LogP1.05
Rot. Bonds10

About N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119739356) has the molecular formula C14H24ClN3O5S and a molecular weight of 381.88 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119739356
Molecular FormulaC14H24ClN3O5S
Molecular Weight381.88 g/mol
Exact Mass381.11
IUPAC NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CNCCOC)cc1OC.Cl
InChIInChI=1S/C14H23N3O5S.ClH/c1-4-23(19,20)17-12-6-5-11(9-13(12)22-3)16-14(18)10-15-7-8-21-2;/h5-6,9,15,17H,4,7-8,10H2,1-3H3,(H,16,18);1H
InChIKeyQKSNHYHMCLYIKQ-UHFFFAOYSA-N
XLogP1.05
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337
N-[4-(ethylsulfonylamino)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79272393
N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide
CID 119779724
2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119754250
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55955115
2-(2-methoxyethylamino)-N-[3-(propylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119795017
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119677471
4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 55956522
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287
N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742218

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119739356) is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is CCS(=O)(=O)Nc1ccc(NC(=O)CNCCOC)cc1OC.Cl.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is QKSNHYHMCLYIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S.ClH/c1-4-23(19,20)17-12-6-5-11(9-13(12)22-3)16-14(18)10-15-7-8-21-2;/h5-6,9,15,17H,4,7-8,10H2,1-3H3,(H,16,18);1H.
What are the key properties of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 381.88 g/mol, XLogP of 1.05, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119739356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).