2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C18H21BrN2O5S2 — CID 43078004

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O5S2/c1-13(14-4-8-16(9-5-14)27(3,23)24)20-18(22)12-21(2)28(25,26)17-10-6-15(19)7-11-17/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyFVFQWHFRFNXVCF-UHFFFAOYSA-N
MW489.41 g/mol
LogP2.35
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 43078004) has the molecular formula C18H21BrN2O5S2 and a molecular weight of 489.41 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID43078004
Molecular FormulaC18H21BrN2O5S2
Molecular Weight489.41 g/mol
Exact Mass488.01
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O5S2/c1-13(14-4-8-16(9-5-14)27(3,23)24)20-18(22)12-21(2)28(25,26)17-10-6-15(19)7-11-17/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyFVFQWHFRFNXVCF-UHFFFAOYSA-N
XLogP2.35
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165585
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165854
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-methylamino]acetamide
CID 28544998
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871944
2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096212
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 28546100
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55706414

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 43078004) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is CC(NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is FVFQWHFRFNXVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O5S2/c1-13(14-4-8-16(9-5-14)27(3,23)24)20-18(22)12-21(2)28(25,26)17-10-6-15(19)7-11-17/h4-11,13H,12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 489.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 43078004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).