2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide

C17H25BrN2O3S — CID 60507297

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1N(C)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O3S/c1-13-6-4-5-7-16(13)20(3)17(21)12-19(2)24(22,23)15-10-8-14(18)9-11-15/h8-11,13,16H,4-7,12H2,1-3H3
InChIKeyWNYOLLXNNTWZRT-UHFFFAOYSA-N
MW417.37 g/mol
LogP3.11
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 60507297) has the molecular formula C17H25BrN2O3S and a molecular weight of 417.37 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide
PubChem CID60507297
Molecular FormulaC17H25BrN2O3S
Molecular Weight417.37 g/mol
Exact Mass416.08
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1N(C)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2O3S/c1-13-6-4-5-7-16(13)20(3)17(21)12-19(2)24(22,23)15-10-8-14(18)9-11-15/h8-11,13,16H,4-7,12H2,1-3H3
InChIKeyWNYOLLXNNTWZRT-UHFFFAOYSA-N
XLogP3.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165024
2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 38950654
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 43897196
3-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]-methylamino]propanoic acid
CID 119232770
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28633740
4-bromo-N-[(1-hydroxycyclobutyl)methyl]-N-methylbenzenesulfonamide
CID 122141769
N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 55537250
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 32919524
4-bromo-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 71857995
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide
CID 60556146

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide (CID 60507297) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1N(C)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is WNYOLLXNNTWZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3S/c1-13-6-4-5-7-16(13)20(3)17(21)12-19(2)24(22,23)15-10-8-14(18)9-11-15/h8-11,13,16H,4-7,12H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide has a molecular weight of 417.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 60507297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).