3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride

C18H32ClN3O3S — CID 120654006

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1.Cl
InChIInChI=1S/C18H31N3O3S.ClH/c1-5-19-15(4)14-20-18(22)13-10-16-8-11-17(12-9-16)25(23,24)21(6-2)7-3;/h8-9,11-12,15,19H,5-7,10,13-14H2,1-4H3,(H,20,22);1H/t15-;/m1./s1
InChIKeyJVFVWTWZHBIICX-XFULWGLBSA-N
MW405.99 g/mol
LogP2.19
Rot. Bonds11

About 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride

3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride (PubChem CID 120654006) has the molecular formula C18H32ClN3O3S and a molecular weight of 405.99 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
PubChem CID120654006
Molecular FormulaC18H32ClN3O3S
Molecular Weight405.99 g/mol
Exact Mass405.19
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1.Cl
InChIInChI=1S/C18H31N3O3S.ClH/c1-5-19-15(4)14-20-18(22)13-10-16-8-11-17(12-9-16)25(23,24)21(6-2)7-3;/h8-9,11-12,15,19H,5-7,10,13-14H2,1-4H3,(H,20,22);1H/t15-;/m1./s1
InChIKeyJVFVWTWZHBIICX-XFULWGLBSA-N
XLogP2.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.99
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
CID 120828761
(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide
CID 33273657
3-[4-(diethylsulfamoyl)phenyl]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 32732309
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 46522728
N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46528972
3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652975
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78866038
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride (CID 120654006) is 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride is CCN[C@H](C)CNC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1.Cl.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride?
The InChIKey is JVFVWTWZHBIICX-XFULWGLBSA-N. The full InChI is InChI=1S/C18H31N3O3S.ClH/c1-5-19-15(4)14-20-18(22)13-10-16-8-11-17(12-9-16)25(23,24)21(6-2)7-3;/h8-9,11-12,15,19H,5-7,10,13-14H2,1-4H3,(H,20,22);1H/t15-;/m1./s1.
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride?
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride has a molecular weight of 405.99 g/mol, XLogP of 2.19, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120654006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).