N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide

C19H23BrN2O4S — CID 43891541

IUPACN-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C19H23BrN2O4S/c1-13-8-9-17(26-4)18(10-13)27(24,25)22(3)12-19(23)21-14(2)15-6-5-7-16(20)11-15/h5-11,14H,12H2,1-4H3,(H,21,23)
InChIKeyGCHMBHWWZSDPKP-UHFFFAOYSA-N
MW455.37 g/mol
LogP3.26
Rot. Bonds7

About N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide

N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 43891541) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
PubChem CID43891541
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C19H23BrN2O4S/c1-13-8-9-17(26-4)18(10-13)27(24,25)22(3)12-19(23)21-14(2)15-6-5-7-16(20)11-15/h5-11,14H,12H2,1-4H3,(H,21,23)
InChIKeyGCHMBHWWZSDPKP-UHFFFAOYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 43891536
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 94861527
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43891537
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
CID 28544998
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 94861525
N-[(1S)-1-(3-bromophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 28557745
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871944
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 28549007
N-(3-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168363
2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30168616
N-(4-bromo-2-fluorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 989380
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]acetamide
CID 92645757

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide (CID 43891541) is N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide is COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC(C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is GCHMBHWWZSDPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-13-8-9-17(26-4)18(10-13)27(24,25)22(3)12-19(23)21-14(2)15-6-5-7-16(20)11-15/h5-11,14H,12H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide?
N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 455.37 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 43891541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).