N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C21H25BrN2O4S — CID 28555099

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C21H25BrN2O4S/c1-15-12-19(29(26,27)24-10-3-4-11-24)8-9-20(15)28-14-21(25)23-16(2)17-6-5-7-18(22)13-17/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyGCIQQZNSGRZULU-MRXNPFEDSA-N
MW481.41 g/mol
LogP3.80
Rot. Bonds7

About N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 28555099) has the molecular formula C21H25BrN2O4S and a molecular weight of 481.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID28555099
Molecular FormulaC21H25BrN2O4S
Molecular Weight481.41 g/mol
Exact Mass480.07
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESCc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C21H25BrN2O4S/c1-15-12-19(29(26,27)24-10-3-4-11-24)8-9-20(15)28-14-21(25)23-16(2)17-6-5-7-18(22)13-17/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyGCIQQZNSGRZULU-MRXNPFEDSA-N
XLogP3.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 28555474
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 28555994
N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide
CID 43873669
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28554860
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28555089
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 28555285
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28555179
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873697
N-(2,6-diethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126397479
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 28555896
N-(2-chlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126395278
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 28554997

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 28555099) is N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N[C@H](C)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is GCIQQZNSGRZULU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25BrN2O4S/c1-15-12-19(29(26,27)24-10-3-4-11-24)8-9-20(15)28-14-21(25)23-16(2)17-6-5-7-18(22)13-17/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3,(H,23,25)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 481.41 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 28555099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).