3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide

C19H22FN3O4S — CID 2451587

IUPAC3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O4S/c1-14(24)23-17-6-8-18(9-7-17)28(26,27)22-13-11-19(25)21-12-10-15-2-4-16(20)5-3-15/h2-9,22H,10-13H2,1H3,(H,21,25)(H,23,24)
InChIKeySWZQPOKKFFKGIU-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.81
Rot. Bonds9

About 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide

3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 2451587) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID2451587
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O4S/c1-14(24)23-17-6-8-18(9-7-17)28(26,27)22-13-11-19(25)21-12-10-15-2-4-16(20)5-3-15/h2-9,22H,10-13H2,1H3,(H,21,25)(H,23,24)
InChIKeySWZQPOKKFFKGIU-UHFFFAOYSA-N
XLogP1.81
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000569
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574942
N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 9391675
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 35707657
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
N-[4-(acetylsulfamoyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 3379076

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 2451587) is 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is SWZQPOKKFFKGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-14(24)23-17-6-8-18(9-7-17)28(26,27)22-13-11-19(25)21-12-10-15-2-4-16(20)5-3-15/h2-9,22H,10-13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 407.47 g/mol, XLogP of 1.81, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 2451587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).