3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide

C23H26N4O4S — CID 55839411

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C23H26N4O4S/c28-23(24-17-19-1-6-20(7-2-19)22-11-12-25-26-22)10-5-18-3-8-21(9-4-18)32(29,30)27-13-15-31-16-14-27/h1-4,6-9,11-12H,5,10,13-17H2,(H,24,28)(H,25,26)
InChIKeyFEMGZDAUALYZJJ-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.35
Rot. Bonds8

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide (PubChem CID 55839411) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
PubChem CID55839411
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C23H26N4O4S/c28-23(24-17-19-1-6-20(7-2-19)22-11-12-25-26-22)10-5-18-3-8-21(9-4-18)32(29,30)27-13-15-31-16-14-27/h1-4,6-9,11-12H,5,10,13-17H2,(H,24,28)(H,25,26)
InChIKeyFEMGZDAUALYZJJ-UHFFFAOYSA-N
XLogP2.35
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
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-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55844654
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 27862054
3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 30506440
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2330582
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55656769
N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 55709889

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide (CID 55839411) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
The InChIKey is FEMGZDAUALYZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c28-23(24-17-19-1-6-20(7-2-19)22-11-12-25-26-22)10-5-18-3-8-21(9-4-18)32(29,30)27-13-15-31-16-14-27/h1-4,6-9,11-12H,5,10,13-17H2,(H,24,28)(H,25,26).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide has a molecular weight of 454.55 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 55839411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).