2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide

C14H19BrN2O3S — CID 999619

IUPAC2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O3S/c1-21(19,20)17(13-8-4-5-11(15)9-13)10-14(18)16-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,16,18)
InChIKeyLJJPPDXNSIRNSF-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.27
Rot. Bonds5

About 2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide

2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide (PubChem CID 999619) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide
PubChem CID999619
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O3S/c1-21(19,20)17(13-8-4-5-11(15)9-13)10-14(18)16-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,16,18)
InChIKeyLJJPPDXNSIRNSF-UHFFFAOYSA-N
XLogP2.27
TPSA66.48 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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide
CID 1000068
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-cycloheptylacetamide
CID 1320768
methyl 3-[[2-(cyclohexylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155935
methyl 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155927
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 113154945
N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156955
2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide
CID 30168807
2-(3-bromo-N-methylsulfonylanilino)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895482
2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219885
2-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132629385
(2R)-2-[benzyl-[2-(3-bromo-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 125072095
2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
CID 2210419

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide?
The IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide (CID 999619) is 2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide?
The canonical SMILES for 2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide is CS(=O)(=O)N(CC(=O)NC1CCCC1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide?
The InChIKey is LJJPPDXNSIRNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-21(19,20)17(13-8-4-5-11(15)9-13)10-14(18)16-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,16,18).
What are the key properties of 2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide?
2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide has a molecular weight of 375.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide is sourced from PubChem (CID 999619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).