N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride

C14H20BrClN2O3S — CID 119616864

IUPACN-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C14H19BrN2O3S.ClH/c15-12-5-1-10(2-6-12)8-21(19,20)9-14(18)17-13(7-16)11-3-4-11;/h1-2,5-6,11,13H,3-4,7-9,16H2,(H,17,18);1H
InChIKeyLPJDCAMSXBSGAH-UHFFFAOYSA-N
MW411.75 g/mol
LogP1.64
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride (PubChem CID 119616864) has the molecular formula C14H20BrClN2O3S and a molecular weight of 411.75 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride
PubChem CID119616864
Molecular FormulaC14H20BrClN2O3S
Molecular Weight411.75 g/mol
Exact Mass410.01
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride
SMILESCl.NCC(NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CC1
InChIInChI=1S/C14H19BrN2O3S.ClH/c15-12-5-1-10(2-6-12)8-21(19,20)9-14(18)17-13(7-16)11-3-4-11;/h1-2,5-6,11,13H,3-4,7-9,16H2,(H,17,18);1H
InChIKeyLPJDCAMSXBSGAH-UHFFFAOYSA-N
XLogP1.64
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.75
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride
CID 119616334
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119575277
N-(2-amino-1-cyclopropylethyl)-3-(4-bromophenyl)sulfanylpropanamide
CID 119617931
2-[(4-bromophenyl)methylsulfonyl]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120830337
N-(2-amino-1-cyclopropylethyl)-2-[4-(2-methylpropyl)phenyl]acetamide;hydrochloride
CID 119615543
N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride
CID 119614994
N-(2-amino-1-cyclopropylethyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119612928
N-(2-amino-1-cyclopropylethyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
CID 119613614
N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methoxy]benzamide
CID 119616898
2-[(4-bromophenyl)methylsulfonyl]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 112827216
N-(2-amino-1-cyclopropylethyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119616000
N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride
CID 119613872

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride (CID 119616864) is N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride is Cl.NCC(NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride?
The InChIKey is LPJDCAMSXBSGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S.ClH/c15-12-5-1-10(2-6-12)8-21(19,20)9-14(18)17-13(7-16)11-3-4-11;/h1-2,5-6,11,13H,3-4,7-9,16H2,(H,17,18);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride has a molecular weight of 411.75 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride is sourced from PubChem (CID 119616864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).