2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C25H24FN5O5S — CID 53303455

IUPAC2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2ccc(-c3ccc(NS(=O)(=O)c4cccc(OC)c4)c(F)c3)nc21
InChIInChI=1S/C25H24FN5O5S/c1-4-31-23(27)21(25(33)28-2)22(32)17-9-11-19(29-24(17)31)14-8-10-20(18(26)12-14)30-37(34,35)16-7-5-6-15(13-16)36-3/h5-13,30H,4,27H2,1-3H3,(H,28,33)
InChIKeyDZGNLJPYFVBMIY-UHFFFAOYSA-N
MW525.56 g/mol
LogP2.97
Rot. Bonds7

About 2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 53303455) has the molecular formula C25H24FN5O5S and a molecular weight of 525.56 g/mol. Its IUPAC name is 2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID53303455
Molecular FormulaC25H24FN5O5S
Molecular Weight525.56 g/mol
Exact Mass525.15
IUPAC Name2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(N)c(C(=O)NC)c(=O)c2ccc(-c3ccc(NS(=O)(=O)c4cccc(OC)c4)c(F)c3)nc21
InChIInChI=1S/C25H24FN5O5S/c1-4-31-23(27)21(25(33)28-2)22(32)17-9-11-19(29-24(17)31)14-8-10-20(18(26)12-14)30-37(34,35)16-7-5-6-15(13-16)36-3/h5-13,30H,4,27H2,1-3H3,(H,28,33)
InChIKeyDZGNLJPYFVBMIY-UHFFFAOYSA-N
XLogP2.97
TPSA145.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.56
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 53303455) is 2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1c(N)c(C(=O)NC)c(=O)c2ccc(-c3ccc(NS(=O)(=O)c4cccc(OC)c4)c(F)c3)nc21.
What is the InChIKey of 2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is DZGNLJPYFVBMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O5S/c1-4-31-23(27)21(25(33)28-2)22(32)17-9-11-19(29-24(17)31)14-8-10-20(18(26)12-14)30-37(34,35)16-7-5-6-15(13-16)36-3/h5-13,30H,4,27H2,1-3H3,(H,28,33).
What are the key properties of 2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 525.56 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 53303455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).