N-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide

C34H28F2N2O5S — CID 23017714

IUPACN-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide
SMILESO=C(CCc1ccc(NC(=O)c2ccccc2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C34H28F2N2O5S/c35-30-16-15-29(22-31(30)36)44(41,42)38-33(39)17-13-25-12-14-28(37-34(40)26-7-2-1-3-8-26)21-32(25)43-19-18-23-10-11-24-6-4-5-9-27(24)20-23/h1-12,14-16,20-22H,13,17-19H2,(H,37,40)(H,38,39)
InChIKeyWQVONBXXYNBHOU-UHFFFAOYSA-N
MW614.67 g/mol
LogP6.43
Rot. Bonds11

About N-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide

N-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide (PubChem CID 23017714) has the molecular formula C34H28F2N2O5S and a molecular weight of 614.67 g/mol. Its IUPAC name is N-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide
PubChem CID23017714
Molecular FormulaC34H28F2N2O5S
Molecular Weight614.67 g/mol
Exact Mass614.17
IUPAC NameN-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide
SMILESO=C(CCc1ccc(NC(=O)c2ccccc2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C34H28F2N2O5S/c35-30-16-15-29(22-31(30)36)44(41,42)38-33(39)17-13-25-12-14-28(37-34(40)26-7-2-1-3-8-26)21-32(25)43-19-18-23-10-11-24-6-4-5-9-27(24)20-23/h1-12,14-16,20-22H,13,17-19H2,(H,37,40)(H,38,39)
InChIKeyWQVONBXXYNBHOU-UHFFFAOYSA-N
XLogP6.43
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.67
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide?
The IUPAC name of N-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide (CID 23017714) is N-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide.
What is the SMILES notation for N-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide?
The canonical SMILES for N-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide is O=C(CCc1ccc(NC(=O)c2ccccc2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide?
The InChIKey is WQVONBXXYNBHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28F2N2O5S/c35-30-16-15-29(22-31(30)36)44(41,42)38-33(39)17-13-25-12-14-28(37-34(40)26-7-2-1-3-8-26)21-32(25)43-19-18-23-10-11-24-6-4-5-9-27(24)20-23/h1-12,14-16,20-22H,13,17-19H2,(H,37,40)(H,38,39).
What are the key properties of N-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide?
N-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide has a molecular weight of 614.67 g/mol, XLogP of 6.43, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(3,4-difluorophenyl)sulfonylamino]-3-oxopropyl]-3-(2-naphthalen-2-ylethoxy)phenyl]benzamide is sourced from PubChem (CID 23017714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).