3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide

C15H21BrN2O3S — CID 113144427

IUPAC3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3S/c1-22(20,21)18(14-8-6-12(16)7-9-14)11-10-15(19)17-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,19)
InChIKeyJPEDGZSELRQQED-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.66
Rot. Bonds6

About 3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide

3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide (PubChem CID 113144427) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is 3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide
PubChem CID113144427
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Name3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3S/c1-22(20,21)18(14-8-6-12(16)7-9-14)11-10-15(19)17-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,19)
InChIKeyJPEDGZSELRQQED-UHFFFAOYSA-N
XLogP2.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145276
3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146938
N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142233
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113144205
N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145193
3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144351
3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146821
methyl 3-[[3-(cyclohexylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113145595
N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146226
2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 999619
N-[(4-bromophenyl)methyl]-N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 133196398
2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide
CID 1000068

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
The IUPAC name of 3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide (CID 113144427) is 3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide is CS(=O)(=O)N(CCC(=O)NC1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
The InChIKey is JPEDGZSELRQQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-22(20,21)18(14-8-6-12(16)7-9-14)11-10-15(19)17-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,19).
What are the key properties of 3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide has a molecular weight of 389.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 113144427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).