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

C14H21BrClN3O3S — CID 119616334

IUPACN-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride
SMILESCN(CC(=O)NC(CN)C1CC1)S(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H20BrN3O3S.ClH/c1-18(9-14(19)17-13(8-16)10-2-3-10)22(20,21)12-6-4-11(15)5-7-12;/h4-7,10,13H,2-3,8-9,16H2,1H3,(H,17,19);1H
InChIKeyWPPPDDLENKWVPA-UHFFFAOYSA-N
MW426.76 g/mol
LogP1.34
Rot. Bonds7

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

N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride (PubChem CID 119616334) has the molecular formula C14H21BrClN3O3S and a molecular weight of 426.76 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride
PubChem CID119616334
Molecular FormulaC14H21BrClN3O3S
Molecular Weight426.76 g/mol
Exact Mass425.02
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride
SMILESCN(CC(=O)NC(CN)C1CC1)S(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H20BrN3O3S.ClH/c1-18(9-14(19)17-13(8-16)10-2-3-10)22(20,21)12-6-4-11(15)5-7-12;/h4-7,10,13H,2-3,8-9,16H2,1H3,(H,17,19);1H
InChIKeyWPPPDDLENKWVPA-UHFFFAOYSA-N
XLogP1.34
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.76
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride
CID 119589855
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 27254891
N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119616864
2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]butanoic acid
CID 119223647
N-(2-amino-1-cyclohexylethyl)-2-[methyl(methylsulfonyl)amino]acetamide;hydrochloride
CID 119590776
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27209258
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215
N-[4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]phenyl]-3-methylbutanamide
CID 38950843
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
CID 28544998

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride (CID 119616334) is N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride is CN(CC(=O)NC(CN)C1CC1)S(=O)(=O)c1ccc(Br)cc1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride?
The InChIKey is WPPPDDLENKWVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3S.ClH/c1-18(9-14(19)17-13(8-16)10-2-3-10)22(20,21)12-6-4-11(15)5-7-12;/h4-7,10,13H,2-3,8-9,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide;hydrochloride has a molecular weight of 426.76 g/mol, XLogP of 1.34, 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)sulfonyl-methylamino]acetamide;hydrochloride is sourced from PubChem (CID 119616334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).