N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride

C17H26ClN3O3S — CID 119612928

IUPACN-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCl.NCC(NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C17H25N3O3S.ClH/c18-11-16(13-4-5-13)19-17(21)10-3-12-1-8-15(9-2-12)24(22,23)20-14-6-7-14;/h1-2,8-9,13-14,16,20H,3-7,10-11,18H2,(H,19,21);1H
InChIKeyJEIISTOEUYAJKM-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.34
Rot. Bonds9

About N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride (PubChem CID 119612928) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
PubChem CID119612928
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCl.NCC(NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C17H25N3O3S.ClH/c18-11-16(13-4-5-13)19-17(21)10-3-12-1-8-15(9-2-12)24(22,23)20-14-6-7-14;/h1-2,8-9,13-14,16,20H,3-7,10-11,18H2,(H,19,21);1H
InChIKeyJEIISTOEUYAJKM-UHFFFAOYSA-N
XLogP1.34
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119591484
N-(2-amino-1-cyclopropylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 119613531
N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119404968
N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119589025
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119572402
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
CID 65189008
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 55579481
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride (CID 119612928) is N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride is Cl.NCC(NC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride?
The InChIKey is JEIISTOEUYAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c18-11-16(13-4-5-13)19-17(21)10-3-12-1-8-15(9-2-12)24(22,23)20-14-6-7-14;/h1-2,8-9,13-14,16,20H,3-7,10-11,18H2,(H,19,21);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119612928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).