2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide

C17H19BrN2O3S — CID 2955836

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19BrN2O3S/c1-13(17(21)19-12-11-14-5-3-2-4-6-14)20-24(22,23)16-9-7-15(18)8-10-16/h2-10,13,20H,11-12H2,1H3,(H,19,21)
InChIKeyPODHMDQLFUUZCM-UHFFFAOYSA-N
MW411.32 g/mol
LogP2.47
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide

2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide (PubChem CID 2955836) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
PubChem CID2955836
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19BrN2O3S/c1-13(17(21)19-12-11-14-5-3-2-4-6-14)20-24(22,23)16-9-7-15(18)8-10-16/h2-10,13,20H,11-12H2,1H3,(H,19,21)
InChIKeyPODHMDQLFUUZCM-UHFFFAOYSA-N
XLogP2.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide (CID 2955836) is 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide is CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
The InChIKey is PODHMDQLFUUZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-13(17(21)19-12-11-14-5-3-2-4-6-14)20-24(22,23)16-9-7-15(18)8-10-16/h2-10,13,20H,11-12H2,1H3,(H,19,21).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide?
2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide has a molecular weight of 411.32 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 2955836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).