N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride

C15H24BrClN2O3S — CID 119587419

IUPACN-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CS(=O)(=O)Cc1cccc(Br)c1.Cl
InChIInChI=1S/C15H23BrN2O3S.ClH/c1-11(2)6-14(8-17)18-15(19)10-22(20,21)9-12-4-3-5-13(16)7-12;/h3-5,7,11,14H,6,8-10,17H2,1-2H3,(H,18,19);1H
InChIKeyXUKJJIXXEQDTPZ-UHFFFAOYSA-N
MW427.79 g/mol
LogP2.28
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride (PubChem CID 119587419) has the molecular formula C15H24BrClN2O3S and a molecular weight of 427.79 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
PubChem CID119587419
Molecular FormulaC15H24BrClN2O3S
Molecular Weight427.79 g/mol
Exact Mass426.04
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CS(=O)(=O)Cc1cccc(Br)c1.Cl
InChIInChI=1S/C15H23BrN2O3S.ClH/c1-11(2)6-14(8-17)18-15(19)10-22(20,21)9-12-4-3-5-13(16)7-12;/h3-5,7,11,14H,6,8-10,17H2,1-2H3,(H,18,19);1H
InChIKeyXUKJJIXXEQDTPZ-UHFFFAOYSA-N
XLogP2.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.79
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide
CID 119384113
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119607578
(2R)-2-[[2-[(3-bromophenyl)methylsulfonyl]acetyl]amino]-3-methylbutanoic acid
CID 119368324
N-(3-aminopropyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119407314
N-(1-amino-4-methylpentan-2-yl)-3-(3-bromophenoxy)propanamide;hydrochloride
CID 119586507
2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide
CID 113272495
N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65193942
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride
CID 119574464
2-[[2-[(3-bromophenyl)methylsulfonyl]acetyl]amino]-N-propan-2-ylbenzamide
CID 52741726
2-[(3-bromophenyl)methylsulfonyl]acetic acid
CID 24709843
2-[(3-bromophenyl)methylsulfonyl]-N-(4-methylphenyl)acetamide
CID 7731168
N-(1-amino-3-methylbutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65192905

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride (CID 119587419) is N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride is CC(C)CC(CN)NC(=O)CS(=O)(=O)Cc1cccc(Br)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride?
The InChIKey is XUKJJIXXEQDTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S.ClH/c1-11(2)6-14(8-17)18-15(19)10-22(20,21)9-12-4-3-5-13(16)7-12;/h3-5,7,11,14H,6,8-10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride has a molecular weight of 427.79 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-[(3-bromophenyl)methylsulfonyl]acetamide;hydrochloride is sourced from PubChem (CID 119587419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).