N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide

C23H18F2N2O3S — CID 16833478

IUPACN-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide
SMILESO=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C23H18F2N2O3S/c24-15-9-10-19(18(25)14-15)26(23(30)20-8-5-13-31-20)11-3-4-12-27-21(28)16-6-1-2-7-17(16)22(27)29/h1-2,5-10,13-14H,3-4,11-12H2
InChIKeySJGPLJJQHRGSBN-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.75
Rot. Bonds7

About N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide

N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide (PubChem CID 16833478) has the molecular formula C23H18F2N2O3S and a molecular weight of 440.47 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide
PubChem CID16833478
Molecular FormulaC23H18F2N2O3S
Molecular Weight440.47 g/mol
Exact Mass440.10
IUPAC NameN-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide
SMILESO=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C23H18F2N2O3S/c24-15-9-10-19(18(25)14-15)26(23(30)20-8-5-13-31-20)11-3-4-12-27-21(28)16-6-1-2-7-17(16)22(27)29/h1-2,5-10,13-14H,3-4,11-12H2
InChIKeySJGPLJJQHRGSBN-UHFFFAOYSA-N
XLogP4.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide (CID 16833478) is N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide is O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1cccs1)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide?
The InChIKey is SJGPLJJQHRGSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O3S/c24-15-9-10-19(18(25)14-15)26(23(30)20-8-5-13-31-20)11-3-4-12-27-21(28)16-6-1-2-7-17(16)22(27)29/h1-2,5-10,13-14H,3-4,11-12H2.
What are the key properties of N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide?
N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide has a molecular weight of 440.47 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]thiophene-2-carboxamide is sourced from PubChem (CID 16833478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).