3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide

C24H31N3O7S2 — CID 43875203

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O7S2/c28-24(10-5-20-1-6-22(7-2-20)35(29,30)26-11-15-33-16-12-26)25-19-21-3-8-23(9-4-21)36(31,32)27-13-17-34-18-14-27/h1-4,6-9H,5,10-19H2,(H,25,28)
InChIKeyZXJOYQHCKWOIMY-UHFFFAOYSA-N
MW537.66 g/mol
LogP0.98
Rot. Bonds9

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide (PubChem CID 43875203) has the molecular formula C24H31N3O7S2 and a molecular weight of 537.66 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
PubChem CID43875203
Molecular FormulaC24H31N3O7S2
Molecular Weight537.66 g/mol
Exact Mass537.16
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O7S2/c28-24(10-5-20-1-6-22(7-2-20)35(29,30)26-11-15-33-16-12-26)25-19-21-3-8-23(9-4-21)36(31,32)27-13-17-34-18-14-27/h1-4,6-9H,5,10-19H2,(H,25,28)
InChIKeyZXJOYQHCKWOIMY-UHFFFAOYSA-N
XLogP0.98
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.66
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55839411
3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 30506440
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CID 27231712
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55844654
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
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N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide
CID 55806613
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide (CID 43875203) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
The InChIKey is ZXJOYQHCKWOIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O7S2/c28-24(10-5-20-1-6-22(7-2-20)35(29,30)26-11-15-33-16-12-26)25-19-21-3-8-23(9-4-21)36(31,32)27-13-17-34-18-14-27/h1-4,6-9H,5,10-19H2,(H,25,28).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide has a molecular weight of 537.66 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 43875203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).