N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide

C18H16F2N2O4S — CID 90577902

IUPACN-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC#CCOc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H16F2N2O4S/c1-13(23)22-15-5-7-16(8-6-15)27(24,25)21-10-2-3-11-26-18-9-4-14(19)12-17(18)20/h4-9,12,21H,10-11H2,1H3,(H,22,23)
InChIKeyRCRSBTAYBFCFLV-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.28
Rot. Bonds6

About N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide

N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide (PubChem CID 90577902) has the molecular formula C18H16F2N2O4S and a molecular weight of 394.40 g/mol. Its IUPAC name is N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide
PubChem CID90577902
Molecular FormulaC18H16F2N2O4S
Molecular Weight394.40 g/mol
Exact Mass394.08
IUPAC NameN-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC#CCOc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H16F2N2O4S/c1-13(23)22-15-5-7-16(8-6-15)27(24,25)21-10-2-3-11-26-18-9-4-14(19)12-17(18)20/h4-9,12,21H,10-11H2,1H3,(H,22,23)
InChIKeyRCRSBTAYBFCFLV-UHFFFAOYSA-N
XLogP2.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,4-difluorophenoxy)but-2-ynyl]-4-fluorobenzenesulfonamide
CID 90577897
methyl 4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]benzoate
CID 90577962
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-4-nitrobenzenesulfonamide
CID 90577901
N-[4-(2,4-difluorophenoxy)but-2-ynyl]methanesulfonamide
CID 90577892
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90577946
(2,4-difluorophenyl) 4-acetamidobenzenesulfonate
CID 51178770
N-[4-[4-[3-(trifluoromethyl)phenoxy]but-2-ynylsulfamoyl]phenyl]acetamide
CID 71803054
4-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575714
methyl 3-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90577959
1-[4-(2,4-difluorophenoxy)but-2-ynyl]-3-(4-methoxyphenyl)urea
CID 90577857
1-(4-chlorophenyl)-N-[4-(2,4-difluorophenoxy)but-2-ynyl]methanesulfonamide
CID 90577965
N-[4-(2-chlorophenoxy)but-2-ynyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 90575075

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide (CID 90577902) is N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC#CCOc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide?
The InChIKey is RCRSBTAYBFCFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O4S/c1-13(23)22-15-5-7-16(8-6-15)27(24,25)21-10-2-3-11-26-18-9-4-14(19)12-17(18)20/h4-9,12,21H,10-11H2,1H3,(H,22,23).
What are the key properties of N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide?
N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide has a molecular weight of 394.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 90577902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).