N-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide

C15H21BrN2O3S — CID 1288007

IUPACN-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H21BrN2O3S/c1-22(20,21)18(14-5-3-2-4-6-14)11-15(19)17-13-9-7-12(16)8-10-13/h7-10,14H,2-6,11H2,1H3,(H,17,19)
InChIKeyYOOLMQCVPGHJMV-UHFFFAOYSA-N
MW389.32 g/mol
LogP2.98
Rot. Bonds5

About N-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide

N-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide (PubChem CID 1288007) has the molecular formula C15H21BrN2O3S and a molecular weight of 389.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
PubChem CID1288007
Molecular FormulaC15H21BrN2O3S
Molecular Weight389.32 g/mol
Exact Mass388.05
IUPAC NameN-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H21BrN2O3S/c1-22(20,21)18(14-5-3-2-4-6-14)11-15(19)17-13-9-7-12(16)8-10-13/h7-10,14H,2-6,11H2,1H3,(H,17,19)
InChIKeyYOOLMQCVPGHJMV-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide (CID 1288007) is N-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of N-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The InChIKey is YOOLMQCVPGHJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3S/c1-22(20,21)18(14-5-3-2-4-6-14)11-15(19)17-13-9-7-12(16)8-10-13/h7-10,14H,2-6,11H2,1H3,(H,17,19).
What are the key properties of N-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
N-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide has a molecular weight of 389.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 1288007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).