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

C15H21BrN2O3S — CID 1000068

IUPAC2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O3S/c1-22(20,21)18(14-9-5-6-12(16)10-14)11-15(19)17-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,17,19)
InChIKeyRWENQPZDLGZXSQ-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.66
Rot. Bonds5

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

2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide (PubChem CID 1000068) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is 2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide
PubChem CID1000068
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC Name2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O3S/c1-22(20,21)18(14-9-5-6-12(16)10-14)11-15(19)17-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,17,19)
InChIKeyRWENQPZDLGZXSQ-UHFFFAOYSA-N
XLogP2.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 999619
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-cycloheptylacetamide
CID 1320768
methyl 3-[[2-(cyclohexylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155935
N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156955
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 113154945
2-(3-bromo-N-methylsulfonylanilino)-N-(3-cyclohexyloxypropyl)acetamide
CID 30219885
methyl 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155927
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
N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155209
2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide
CID 30168807
4-(3-chloro-N-methylsulfonylanilino)-N-cyclooctylbutanamide
CID 9173514

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide?
The IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide (CID 1000068) is 2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide?
The canonical SMILES for 2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide is CS(=O)(=O)N(CC(=O)NC1CCCCC1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide?
The InChIKey is RWENQPZDLGZXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-22(20,21)18(14-9-5-6-12(16)10-14)11-15(19)17-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,17,19).
What are the key properties of 2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide?
2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide has a molecular weight of 389.32 g/mol, XLogP of 2.66, 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-cyclohexylacetamide is sourced from PubChem (CID 1000068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).