3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide

C18H20BrN3O4S — CID 55846241

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrN3O4S/c1-2-17(23)21-14-6-8-15(9-7-14)22-18(24)10-11-20-27(25,26)16-5-3-4-13(19)12-16/h3-9,12,20H,2,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyUKRVGXGUJHWYCK-UHFFFAOYSA-N
MW454.35 g/mol
LogP3.10
Rot. Bonds8

About 3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide

3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide (PubChem CID 55846241) has the molecular formula C18H20BrN3O4S and a molecular weight of 454.35 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
PubChem CID55846241
Molecular FormulaC18H20BrN3O4S
Molecular Weight454.35 g/mol
Exact Mass453.04
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C18H20BrN3O4S/c1-2-17(23)21-14-6-8-15(9-7-14)22-18(24)10-11-20-27(25,26)16-5-3-4-13(19)12-16/h3-9,12,20H,2,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyUKRVGXGUJHWYCK-UHFFFAOYSA-N
XLogP3.10
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.35
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
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3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
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3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
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3-[3-[(3-bromophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119220969
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
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3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
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3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide (CID 55846241) is 3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide?
The InChIKey is UKRVGXGUJHWYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O4S/c1-2-17(23)21-14-6-8-15(9-7-14)22-18(24)10-11-20-27(25,26)16-5-3-4-13(19)12-16/h3-9,12,20H,2,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide has a molecular weight of 454.35 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 55846241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).