N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide

C15H21BrN2O3S — CID 113071622

IUPACN-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
SMILESCc1cc(N(CCNC(=O)C2CCC2)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C15H21BrN2O3S/c1-11-10-13(6-7-14(11)16)18(22(2,20)21)9-8-17-15(19)12-4-3-5-12/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyFEMNJLOHHVJEHC-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide

N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide (PubChem CID 113071622) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
PubChem CID113071622
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC NameN-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
SMILESCc1cc(N(CCNC(=O)C2CCC2)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C15H21BrN2O3S/c1-11-10-13(6-7-14(11)16)18(22(2,20)21)9-8-17-15(19)12-4-3-5-12/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyFEMNJLOHHVJEHC-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113071624
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113070461
N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 70935045
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide
CID 113070738
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069097
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7367014
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113068124
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113065694
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]oxane-4-carboxamide
CID 113069640
3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide
CID 113146090
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069805
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
CID 48557581

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide (CID 113071622) is N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide is Cc1cc(N(CCNC(=O)C2CCC2)S(C)(=O)=O)ccc1Br.
What is the InChIKey of N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide?
The InChIKey is FEMNJLOHHVJEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-11-10-13(6-7-14(11)16)18(22(2,20)21)9-8-17-15(19)12-4-3-5-12/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide?
N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide has a molecular weight of 389.32 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 113071622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).