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

C15H26ClN3O4S — CID 119273235

IUPAC2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1.Cl
InChIInChI=1S/C15H25N3O4S.ClH/c1-5-7-12(16)15(19)17-11-8-9-13(22-6-2)14(10-11)23(20,21)18(3)4;/h8-10,12H,5-7,16H2,1-4H3,(H,17,19);1H
InChIKeyBWFSGGGMPISSRB-UHFFFAOYSA-N
MW379.91 g/mol
LogP1.82
Rot. Bonds8

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

2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride (PubChem CID 119273235) has the molecular formula C15H26ClN3O4S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride
PubChem CID119273235
Molecular FormulaC15H26ClN3O4S
Molecular Weight379.91 g/mol
Exact Mass379.13
IUPAC Name2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1.Cl
InChIInChI=1S/C15H25N3O4S.ClH/c1-5-7-12(16)15(19)17-11-8-9-13(22-6-2)14(10-11)23(20,21)18(3)4;/h8-10,12H,5-7,16H2,1-4H3,(H,17,19);1H
InChIKeyBWFSGGGMPISSRB-UHFFFAOYSA-N
XLogP1.82
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984636
(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
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
(2R)-2-acetamido-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-methylbutanamide
CID 9470181
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride (CID 119273235) is 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1.Cl.
What is the InChIKey of 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride?
The InChIKey is BWFSGGGMPISSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S.ClH/c1-5-7-12(16)15(19)17-11-8-9-13(22-6-2)14(10-11)23(20,21)18(3)4;/h8-10,12H,5-7,16H2,1-4H3,(H,17,19);1H.
What are the key properties of 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride?
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride is sourced from PubChem (CID 119273235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).