3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide

C17H18BrNO3S — CID 3353638

IUPAC3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)NCCc1ccccc1
InChIInChI=1S/C17H18BrNO3S/c18-15-6-8-16(9-7-15)23(21,22)13-11-17(20)19-12-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)
InChIKeyMTYWVMHAGBQTFE-UHFFFAOYSA-N
MW396.31 g/mol
LogP2.97
Rot. Bonds7

About 3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide (PubChem CID 3353638) has the molecular formula C17H18BrNO3S and a molecular weight of 396.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide
PubChem CID3353638
Molecular FormulaC17H18BrNO3S
Molecular Weight396.31 g/mol
Exact Mass395.02
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)NCCc1ccccc1
InChIInChI=1S/C17H18BrNO3S/c18-15-6-8-16(9-7-15)23(21,22)13-11-17(20)19-12-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)
InChIKeyMTYWVMHAGBQTFE-UHFFFAOYSA-N
XLogP2.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide
CID 4576617
2-(Bis(4-bromophenyl)methylsulfinyl)-N-(3-phenylpropyl)acetamide
CID 76314639
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-ethyl-N-(2-phenylethyl)glycinamide
CID 2233057
2-[[(4-bromophenyl)sulfonyl](methyl)amino]-N-(2-phenylethyl)acetamide
CID 2301201
1-Benzyl-4-{3-[(4-bromophenyl)sulfonyl]propanoyl}piperazine
CID 3235946
3-(4-bromophenyl)sulfonyl-N-[2-(3-methylphenyl)ethyl]propanamide
CID 4089358
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 4547646
3-[(4-bromophenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide
CID 27828455
3-(benzenesulfonyl)-N-benzylpropanamide
CID 7202624
3-[(4-bromophenyl)sulfonyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 3238751

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide (CID 3353638) is 3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)NCCc1ccccc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide?
The InChIKey is MTYWVMHAGBQTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3S/c18-15-6-8-16(9-7-15)23(21,22)13-11-17(20)19-12-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide has a molecular weight of 396.31 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 3353638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).