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

C16H28ClN3O5S — CID 120984551

IUPAC2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C(N)COC)cc1S(=O)(=O)N(CC)CC.Cl
InChIInChI=1S/C16H27N3O5S.ClH/c1-5-19(6-2)25(21,22)15-10-12(8-9-14(15)24-7-3)18-16(20)13(17)11-23-4;/h8-10,13H,5-7,11,17H2,1-4H3,(H,18,20);1H
InChIKeyNWXOMAXCBFPEEV-UHFFFAOYSA-N
MW409.94 g/mol
LogP1.45
Rot. Bonds10

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

2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120984551) has the molecular formula C16H28ClN3O5S and a molecular weight of 409.94 g/mol. Its IUPAC name is 2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
PubChem CID120984551
Molecular FormulaC16H28ClN3O5S
Molecular Weight409.94 g/mol
Exact Mass409.14
IUPAC Name2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C(N)COC)cc1S(=O)(=O)N(CC)CC.Cl
InChIInChI=1S/C16H27N3O5S.ClH/c1-5-19(6-2)25(21,22)15-10-12(8-9-14(15)24-7-3)18-16(20)13(17)11-23-4;/h8-10,13H,5-7,11,17H2,1-4H3,(H,18,20);1H
InChIKeyNWXOMAXCBFPEEV-UHFFFAOYSA-N
XLogP1.45
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984636
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
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
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
2-(2-chloro-5-methylphenoxy)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 55792391
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55337258
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
(2S)-2-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119679919
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 51135581

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride (CID 120984551) is 2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride is CCOc1ccc(NC(=O)C(N)COC)cc1S(=O)(=O)N(CC)CC.Cl.
What is the InChIKey of 2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is NWXOMAXCBFPEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5S.ClH/c1-5-19(6-2)25(21,22)15-10-12(8-9-14(15)24-7-3)18-16(20)13(17)11-23-4;/h8-10,13H,5-7,11,17H2,1-4H3,(H,18,20);1H.
What are the key properties of 2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120984551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).