2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide

C18H16F2N4O4S — CID 133291260

IUPAC2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)NCc1ccco1
InChIInChI=1S/C18H16F2N4O4S/c19-15-5-3-12(8-16(15)20)24-29(26,27)14-4-6-17(21-10-14)22-11-18(25)23-9-13-2-1-7-28-13/h1-8,10,24H,9,11H2,(H,21,22)(H,23,25)
InChIKeyDZUUQTOQJXZJFN-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.48
Rot. Bonds8

About 2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide

2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 133291260) has the molecular formula C18H16F2N4O4S and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID133291260
Molecular FormulaC18H16F2N4O4S
Molecular Weight422.41 g/mol
Exact Mass422.09
IUPAC Name2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)NCc1ccco1
InChIInChI=1S/C18H16F2N4O4S/c19-15-5-3-12(8-16(15)20)24-29(26,27)14-4-6-17(21-10-14)22-11-18(25)23-9-13-2-1-7-28-13/h1-8,10,24H,9,11H2,(H,21,22)(H,23,25)
InChIKeyDZUUQTOQJXZJFN-UHFFFAOYSA-N
XLogP2.48
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide (CID 133291260) is 2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide is O=C(CNc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1)NCc1ccco1.
What is the InChIKey of 2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is DZUUQTOQJXZJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O4S/c19-15-5-3-12(8-16(15)20)24-29(26,27)14-4-6-17(21-10-14)22-11-18(25)23-9-13-2-1-7-28-13/h1-8,10,24H,9,11H2,(H,21,22)(H,23,25).
What are the key properties of 2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide?
2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 422.41 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 133291260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).