2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride

C14H24ClN3O5S — CID 120984636

IUPAC2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C(N)COC)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C14H23N3O5S.ClH/c1-5-22-12-7-6-10(16-14(18)11(15)9-21-4)8-13(12)23(19,20)17(2)3;/h6-8,11H,5,9,15H2,1-4H3,(H,16,18);1H
InChIKeyFIIXDCLZDKELOA-UHFFFAOYSA-N
MW381.88 g/mol
LogP0.67
Rot. Bonds8

About 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120984636) has the molecular formula C14H24ClN3O5S and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
PubChem CID120984636
Molecular FormulaC14H24ClN3O5S
Molecular Weight381.88 g/mol
Exact Mass381.11
IUPAC Name2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C(N)COC)cc1S(=O)(=O)N(C)C.Cl
InChIInChI=1S/C14H23N3O5S.ClH/c1-5-22-12-7-6-10(16-14(18)11(15)9-21-4)8-13(12)23(19,20)17(2)3;/h6-8,11H,5,9,15H2,1-4H3,(H,16,18);1H
InChIKeyFIIXDCLZDKELOA-UHFFFAOYSA-N
XLogP0.67
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride
CID 119273235
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)acetamide
CID 120666806
(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide
CID 9470181
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
2-(2-bromo-4-methylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 55773525
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 43077928

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride (CID 120984636) is 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride is CCOc1ccc(NC(=O)C(N)COC)cc1S(=O)(=O)N(C)C.Cl.
What is the InChIKey of 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is FIIXDCLZDKELOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S.ClH/c1-5-22-12-7-6-10(16-14(18)11(15)9-21-4)8-13(12)23(19,20)17(2)3;/h6-8,11H,5,9,15H2,1-4H3,(H,16,18);1H.
What are the key properties of 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 381.88 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120984636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).