(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride

C15H26ClN3O3S — CID 119269825

IUPAC(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-5-18(6-2)22(20,21)14-9-7-13(8-10-14)12(4)17-15(19)11(3)16;/h7-12H,5-6,16H2,1-4H3,(H,17,19);1H/t11-,12?;/m1./s1
InChIKeyBHIMDDDLQDVVRM-BAVFUAOSSA-N
MW363.91 g/mol
LogP1.66
Rot. Bonds7

About (2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride (PubChem CID 119269825) has the molecular formula C15H26ClN3O3S and a molecular weight of 363.91 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
PubChem CID119269825
Molecular FormulaC15H26ClN3O3S
Molecular Weight363.91 g/mol
Exact Mass363.14
IUPAC Name(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-5-18(6-2)22(20,21)14-9-7-13(8-10-14)12(4)17-15(19)11(3)16;/h7-12H,5-6,16H2,1-4H3,(H,17,19);1H/t11-,12?;/m1./s1
InChIKeyBHIMDDDLQDVVRM-BAVFUAOSSA-N
XLogP1.66
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119686834
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide
CID 55339007
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119686806
2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 112765400
(2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide
CID 119304077
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
1-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 52535105

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride (CID 119269825) is (2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)[C@@H](C)N)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride?
The InChIKey is BHIMDDDLQDVVRM-BAVFUAOSSA-N. The full InChI is InChI=1S/C15H25N3O3S.ClH/c1-5-18(6-2)22(20,21)14-9-7-13(8-10-14)12(4)17-15(19)11(3)16;/h7-12H,5-6,16H2,1-4H3,(H,17,19);1H/t11-,12?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride has a molecular weight of 363.91 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119269825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).