2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide

C18H27BrN2O3S — CID 4317865

IUPAC2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide
SMILESCC1CCC(NC(=O)C(NS(=O)(=O)c2ccc(Br)cc2)C(C)C)CC1
InChIInChI=1S/C18H27BrN2O3S/c1-12(2)17(18(22)20-15-8-4-13(3)5-9-15)21-25(23,24)16-10-6-14(19)7-11-16/h6-7,10-13,15,17,21H,4-5,8-9H2,1-3H3,(H,20,22)
InChIKeyCFTFYKPCNBJUGF-UHFFFAOYSA-N
MW431.40 g/mol
LogP3.45
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide

2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide (PubChem CID 4317865) has the molecular formula C18H27BrN2O3S and a molecular weight of 431.40 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide
PubChem CID4317865
Molecular FormulaC18H27BrN2O3S
Molecular Weight431.40 g/mol
Exact Mass430.09
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide
SMILESCC1CCC(NC(=O)C(NS(=O)(=O)c2ccc(Br)cc2)C(C)C)CC1
InChIInChI=1S/C18H27BrN2O3S/c1-12(2)17(18(22)20-15-8-4-13(3)5-9-15)21-25(23,24)16-10-6-14(19)7-11-16/h6-7,10-13,15,17,21H,4-5,8-9H2,1-3H3,(H,20,22)
InChIKeyCFTFYKPCNBJUGF-UHFFFAOYSA-N
XLogP3.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide (CID 4317865) is 2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide is CC1CCC(NC(=O)C(NS(=O)(=O)c2ccc(Br)cc2)C(C)C)CC1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide?
The InChIKey is CFTFYKPCNBJUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O3S/c1-12(2)17(18(22)20-15-8-4-13(3)5-9-15)21-25(23,24)16-10-6-14(19)7-11-16/h6-7,10-13,15,17,21H,4-5,8-9H2,1-3H3,(H,20,22).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide?
2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide has a molecular weight of 431.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(4-methylcyclohexyl)butanamide is sourced from PubChem (CID 4317865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).