3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

C18H21BrN2O5S2 — CID 55433081

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O5S2/c1-13(14-3-7-16(8-4-14)27(2,23)24)21-18(22)11-12-20-28(25,26)17-9-5-15(19)6-10-17/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyPFQBDDXRKLMXKH-UHFFFAOYSA-N
MW489.41 g/mol
LogP2.40
Rot. Bonds8

About 3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (PubChem CID 55433081) has the molecular formula C18H21BrN2O5S2 and a molecular weight of 489.41 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
PubChem CID55433081
Molecular FormulaC18H21BrN2O5S2
Molecular Weight489.41 g/mol
Exact Mass488.01
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O5S2/c1-13(14-3-7-16(8-4-14)27(2,23)24)21-18(22)11-12-20-28(25,26)17-9-5-15(19)6-10-17/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyPFQBDDXRKLMXKH-UHFFFAOYSA-N
XLogP2.40
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 24552138
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 28557137
2-(4-bromophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096212
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594
3-[(4-bromophenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112763964
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
(2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
CID 8751709
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845
3-[(4-chlorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 24639242
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (CID 55433081) is 3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is CC(NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The InChIKey is PFQBDDXRKLMXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O5S2/c1-13(14-3-7-16(8-4-14)27(2,23)24)21-18(22)11-12-20-28(25,26)17-9-5-15(19)6-10-17/h3-10,13,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide has a molecular weight of 489.41 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is sourced from PubChem (CID 55433081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).