3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

C22H28BrN3O5S — CID 25163879

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)cc1
InChIInChI=1S/C22H28BrN3O5S/c1-30-19-6-2-17(3-7-19)21(26-12-14-31-15-13-26)16-24-22(27)10-11-25-32(28,29)20-8-4-18(23)5-9-20/h2-9,21,25H,10-16H2,1H3,(H,24,27)
InChIKeyYHTAWLDNQYMTJE-UHFFFAOYSA-N
MW526.45 g/mol
LogP2.32
Rot. Bonds10

About 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 25163879) has the molecular formula C22H28BrN3O5S and a molecular weight of 526.45 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID25163879
Molecular FormulaC22H28BrN3O5S
Molecular Weight526.45 g/mol
Exact Mass525.09
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)cc1
InChIInChI=1S/C22H28BrN3O5S/c1-30-19-6-2-17(3-7-19)21(26-12-14-31-15-13-26)16-24-22(27)10-11-25-32(28,29)20-8-4-18(23)5-9-20/h2-9,21,25H,10-16H2,1H3,(H,24,27)
InChIKeyYHTAWLDNQYMTJE-UHFFFAOYSA-N
XLogP2.32
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 42905295
4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903369
4-bromo-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 24983116
3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55348894
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 27771241
2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24980751
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 16553768
2-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55813489
2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 42905308
4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 55352588

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (CID 25163879) is 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is COc1ccc(C(CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is YHTAWLDNQYMTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN3O5S/c1-30-19-6-2-17(3-7-19)21(26-12-14-31-15-13-26)16-24-22(27)10-11-25-32(28,29)20-8-4-18(23)5-9-20/h2-9,21,25H,10-16H2,1H3,(H,24,27).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 526.45 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 25163879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).