2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide

C14H19BrN2O3S — CID 60539936

IUPAC2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C14H19BrN2O3S/c1-10-6-7-11(15)8-13(10)21(19,20)17(9-14(16)18)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H2,16,18)
InChIKeyZJQYQYPCEHOVNR-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.18
Rot. Bonds5

About 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide

2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide (PubChem CID 60539936) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
PubChem CID60539936
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(CC(N)=O)C1CCCC1
InChIInChI=1S/C14H19BrN2O3S/c1-10-6-7-11(15)8-13(10)21(19,20)17(9-14(16)18)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H2,16,18)
InChIKeyZJQYQYPCEHOVNR-UHFFFAOYSA-N
XLogP2.18
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopropylamino]acetic acid
CID 54945012
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1167474
2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108810
2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide
CID 60539907
2-[(2-amino-5-chlorophenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108815
5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102635699
2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid
CID 60827550
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide
CID 114625120
2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873318
1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 60660626
4-bromo-N-cyclobutyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675823
ethyl 2-[(5-bromo-2-methylphenyl)sulfonyl-ethylamino]acetate
CID 61012540

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide?
The IUPAC name of 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide (CID 60539936) is 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide is Cc1ccc(Br)cc1S(=O)(=O)N(CC(N)=O)C1CCCC1.
What is the InChIKey of 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide?
The InChIKey is ZJQYQYPCEHOVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-10-6-7-11(15)8-13(10)21(19,20)17(9-14(16)18)12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H2,16,18).
What are the key properties of 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide?
2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide has a molecular weight of 375.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide is sourced from PubChem (CID 60539936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).