N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide

C22H27BrN2O4S — CID 28551898

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1cccc(Br)c1
InChIInChI=1S/C22H27BrN2O4S/c1-16(17-6-5-7-18(23)14-17)24-22(26)15-29-20-10-12-21(13-11-20)30(27,28)25-19-8-3-2-4-9-19/h5-7,10-14,16,19,25H,2-4,8-9,15H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyBMGRRAKYDOLSAB-MRXNPFEDSA-N
MW495.44 g/mol
LogP4.32
Rot. Bonds8

About N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide

N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide (PubChem CID 28551898) has the molecular formula C22H27BrN2O4S and a molecular weight of 495.44 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
PubChem CID28551898
Molecular FormulaC22H27BrN2O4S
Molecular Weight495.44 g/mol
Exact Mass494.09
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1cccc(Br)c1
InChIInChI=1S/C22H27BrN2O4S/c1-16(17-6-5-7-18(23)14-17)24-22(26)15-29-20-10-12-21(13-11-20)30(27,28)25-19-8-3-2-4-9-19/h5-7,10-14,16,19,25H,2-4,8-9,15H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyBMGRRAKYDOLSAB-MRXNPFEDSA-N
XLogP4.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide with MolForge

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 43873215
N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide
CID 43873421
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28551866
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552786
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552789
N-(3-bromophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1315890
N-[1-(3-bromophenyl)ethyl]-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 43873317
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28551884
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 94861649
2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 61140560
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 43873232
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide (CID 28551898) is N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide is C[C@@H](NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The InChIKey is BMGRRAKYDOLSAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27BrN2O4S/c1-16(17-6-5-7-18(23)14-17)24-22(26)15-29-20-10-12-21(13-11-20)30(27,28)25-19-8-3-2-4-9-19/h5-7,10-14,16,19,25H,2-4,8-9,15H2,1H3,(H,24,26)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide has a molecular weight of 495.44 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 28551898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).