3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide

C21H26FN3O4S — CID 55976370

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C21H26FN3O4S/c22-18-3-7-20(8-4-18)30(27,28)23-11-9-21(26)24-19-5-1-17(2-6-19)10-12-25-13-15-29-16-14-25/h1-8,23H,9-16H2,(H,24,26)
InChIKeyROHIOEJKARMERI-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.01
Rot. Bonds9

About 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide

3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide (PubChem CID 55976370) has the molecular formula C21H26FN3O4S and a molecular weight of 435.52 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
PubChem CID55976370
Molecular FormulaC21H26FN3O4S
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C21H26FN3O4S/c22-18-3-7-20(8-4-18)30(27,28)23-11-9-21(26)24-19-5-1-17(2-6-19)10-12-25-13-15-29-16-14-25/h1-8,23H,9-16H2,(H,24,26)
InChIKeyROHIOEJKARMERI-UHFFFAOYSA-N
XLogP2.01
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 55977009
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
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3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
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N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 35707657
4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982
3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2451587
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
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3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 24637733
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide (CID 55976370) is 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide is O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(CCN2CCOCC2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
The InChIKey is ROHIOEJKARMERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4S/c22-18-3-7-20(8-4-18)30(27,28)23-11-9-21(26)24-19-5-1-17(2-6-19)10-12-25-13-15-29-16-14-25/h1-8,23H,9-16H2,(H,24,26).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide has a molecular weight of 435.52 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide is sourced from PubChem (CID 55976370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).