3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide

C22H23BrN2O4S — CID 42657152

IUPAC3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C22H23BrN2O4S/c1-17(18-6-3-2-4-7-18)24-22(26)13-14-25(16-20-8-5-15-29-20)30(27,28)21-11-9-19(23)10-12-21/h2-12,15,17H,13-14,16H2,1H3,(H,24,26)
InChIKeyXOBLNYWMUSLWMW-UHFFFAOYSA-N
MW491.41 g/mol
LogP4.50
Rot. Bonds9

About 3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide

3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide (PubChem CID 42657152) has the molecular formula C22H23BrN2O4S and a molecular weight of 491.41 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide
PubChem CID42657152
Molecular FormulaC22H23BrN2O4S
Molecular Weight491.41 g/mol
Exact Mass490.06
IUPAC Name3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C22H23BrN2O4S/c1-17(18-6-3-2-4-7-18)24-22(26)13-14-25(16-20-8-5-15-29-20)30(27,28)21-11-9-19(23)10-12-21/h2-12,15,17H,13-14,16H2,1H3,(H,24,26)
InChIKeyXOBLNYWMUSLWMW-UHFFFAOYSA-N
XLogP4.50
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 7999685
3-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 42699557
3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide
CID 42699907
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861126
2-[acetyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 113160988
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 40899188
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(3-bromophenyl)ethyl]acetamide
CID 94861120
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide
CID 86819602
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide
CID 4115745
2-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoyl chloride
CID 50894473

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide (CID 42657152) is 3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide is CC(NC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide?
The InChIKey is XOBLNYWMUSLWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O4S/c1-17(18-6-3-2-4-7-18)24-22(26)13-14-25(16-20-8-5-15-29-20)30(27,28)21-11-9-19(23)10-12-21/h2-12,15,17H,13-14,16H2,1H3,(H,24,26).
What are the key properties of 3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide?
3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide has a molecular weight of 491.41 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 42657152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).