N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide

C18H21FN2O4S — CID 9410697

IUPACN-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCOc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O4S/c1-2-25-16-9-7-15(8-10-16)21-18(22)4-3-13-20-26(23,24)17-11-5-14(19)6-12-17/h5-12,20H,2-4,13H2,1H3,(H,21,22)
InChIKeyLUBFKUUQWLYCMQ-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.92
Rot. Bonds9

About N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide

N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide (PubChem CID 9410697) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide
PubChem CID9410697
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCOc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O4S/c1-2-25-16-9-7-15(8-10-16)21-18(22)4-3-13-20-26(23,24)17-11-5-14(19)6-12-17/h5-12,20H,2-4,13H2,1H3,(H,21,22)
InChIKeyLUBFKUUQWLYCMQ-UHFFFAOYSA-N
XLogP2.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.92
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

4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 24640292
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide
CID 71912169
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethoxyphenyl)butanamide
CID 26561486
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-[4-(cyanomethyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9260809
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide (CID 9410697) is N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide is CCOc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide?
The InChIKey is LUBFKUUQWLYCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-2-25-16-9-7-15(8-10-16)21-18(22)4-3-13-20-26(23,24)17-11-5-14(19)6-12-17/h5-12,20H,2-4,13H2,1H3,(H,21,22).
What are the key properties of N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide?
N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide has a molecular weight of 380.44 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide is sourced from PubChem (CID 9410697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).