N-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide

C27H25F2N3O4S — CID 57455767

IUPACN-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide
SMILESCCN(CCN(c1ccc(OC)nc1)S(=O)(=O)c1cccc2ccccc12)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C27H25F2N3O4S/c1-3-31(27(33)20-11-13-23(28)24(29)17-20)15-16-32(21-12-14-26(36-2)30-18-21)37(34,35)25-10-6-8-19-7-4-5-9-22(19)25/h4-14,17-18H,3,15-16H2,1-2H3
InChIKeyMAMCEOYIGNSFHE-UHFFFAOYSA-N
MW525.58 g/mol
LogP4.88
Rot. Bonds9

About N-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide

N-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide (PubChem CID 57455767) has the molecular formula C27H25F2N3O4S and a molecular weight of 525.58 g/mol. Its IUPAC name is N-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide
PubChem CID57455767
Molecular FormulaC27H25F2N3O4S
Molecular Weight525.58 g/mol
Exact Mass525.15
IUPAC NameN-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide
SMILESCCN(CCN(c1ccc(OC)nc1)S(=O)(=O)c1cccc2ccccc12)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C27H25F2N3O4S/c1-3-31(27(33)20-11-13-23(28)24(29)17-20)15-16-32(21-12-14-26(36-2)30-18-21)37(34,35)25-10-6-8-19-7-4-5-9-22(19)25/h4-14,17-18H,3,15-16H2,1-2H3
InChIKeyMAMCEOYIGNSFHE-UHFFFAOYSA-N
XLogP4.88
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.58
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide?
The IUPAC name of N-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide (CID 57455767) is N-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide.
What is the SMILES notation for N-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide?
The canonical SMILES for N-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide is CCN(CCN(c1ccc(OC)nc1)S(=O)(=O)c1cccc2ccccc12)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide?
The InChIKey is MAMCEOYIGNSFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O4S/c1-3-31(27(33)20-11-13-23(28)24(29)17-20)15-16-32(21-12-14-26(36-2)30-18-21)37(34,35)25-10-6-8-19-7-4-5-9-22(19)25/h4-14,17-18H,3,15-16H2,1-2H3.
What are the key properties of N-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide?
N-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide has a molecular weight of 525.58 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-difluoro-N-[2-[(6-methoxy-3-pyridinyl)-naphthalen-1-ylsulfonylamino]ethyl]benzamide is sourced from PubChem (CID 57455767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).