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N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

C21H25BrN2O4S — CID 100511227

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccccc1Br
InChIInChI=1S/C21H25BrN2O4S/c1-28-20-11-10-17(29(26,27)24-13-5-2-6-14-24)15-16(20)9-12-21(25)23-19-8-4-3-7-18(19)22/h3-4,7-8,10-11,15H,2,5-6,9,12-14H2,1H3,(H,23,25)
InChIKeyNXBMHUKKEBGCAE-UHFFFAOYSA-N
MW481.41 g/mol
LogP4.20
Rot. Bonds7

About N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 100511227) has the molecular formula C21H25BrN2O4S and a molecular weight of 481.41 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID100511227
Molecular FormulaC21H25BrN2O4S
Molecular Weight481.41 g/mol
Exact Mass480.07
IUPAC NameN-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccccc1Br
InChIInChI=1S/C21H25BrN2O4S/c1-28-20-11-10-17(29(26,27)24-13-5-2-6-14-24)15-16(20)9-12-21(25)23-19-8-4-3-7-18(19)22/h3-4,7-8,10-11,15H,2,5-6,9,12-14H2,1H3,(H,23,25)
InChIKeyNXBMHUKKEBGCAE-UHFFFAOYSA-N
XLogP4.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (CID 100511227) is N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is NXBMHUKKEBGCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4S/c1-28-20-11-10-17(29(26,27)24-13-5-2-6-14-24)15-16(20)9-12-21(25)23-19-8-4-3-7-18(19)22/h3-4,7-8,10-11,15H,2,5-6,9,12-14H2,1H3,(H,23,25).
What are the key properties of N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 481.41 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 100511227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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