N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide

C19H21F3N2O4S — CID 55408656

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESO=C(CCCNS(=O)(=O)c1ccc(F)cc1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H21F3N2O4S/c20-15-5-9-17(10-6-15)29(26,27)24-12-1-2-18(25)23-13-11-14-3-7-16(8-4-14)28-19(21)22/h3-10,19,24H,1-2,11-13H2,(H,23,25)
InChIKeyAGHDNJBCNQAIDG-UHFFFAOYSA-N
MW430.45 g/mol
LogP2.84
Rot. Bonds11

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide (PubChem CID 55408656) has the molecular formula C19H21F3N2O4S and a molecular weight of 430.45 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
PubChem CID55408656
Molecular FormulaC19H21F3N2O4S
Molecular Weight430.45 g/mol
Exact Mass430.12
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESO=C(CCCNS(=O)(=O)c1ccc(F)cc1)NCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H21F3N2O4S/c20-15-5-9-17(10-6-15)29(26,27)24-12-1-2-18(25)23-13-11-14-3-7-16(8-4-14)28-19(21)22/h3-10,19,24H,1-2,11-13H2,(H,23,25)
InChIKeyAGHDNJBCNQAIDG-UHFFFAOYSA-N
XLogP2.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2451587
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24644960
4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 24644992
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
CID 46486374
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
2-(4-fluorophenoxy)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
CID 30126016
N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 9391675

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide (CID 55408656) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide is O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NCCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide?
The InChIKey is AGHDNJBCNQAIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4S/c20-15-5-9-17(10-6-15)29(26,27)24-12-1-2-18(25)23-13-11-14-3-7-16(8-4-14)28-19(21)22/h3-10,19,24H,1-2,11-13H2,(H,23,25).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide has a molecular weight of 430.45 g/mol, XLogP of 2.84, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide is sourced from PubChem (CID 55408656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).