[2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate

C18H17NO6S — CID 140834227

IUPAC[2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(C)(=O)=O)OC(C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C18H17NO6S/c1-11(20)24-15-16(21)18(2,25-17(15)19-26(3,22)23)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,19H,1-3H3
InChIKeyTVDBEKIVFJOBPP-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.94
Rot. Bonds4

About [2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate

[2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate (PubChem CID 140834227) has the molecular formula C18H17NO6S and a molecular weight of 375.40 g/mol. Its IUPAC name is [2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate.

Molecular Properties

Compound Name[2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate
PubChem CID140834227
Molecular FormulaC18H17NO6S
Molecular Weight375.40 g/mol
Exact Mass375.08
IUPAC Name[2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate
SMILESCC(=O)OC1=C(NS(C)(=O)=O)OC(C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C18H17NO6S/c1-11(20)24-15-16(21)18(2,25-17(15)19-26(3,22)23)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,19H,1-3H3
InChIKeyTVDBEKIVFJOBPP-UHFFFAOYSA-N
XLogP1.94
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(methanesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834161
[5-(2,5-dichlorophenyl)-2-(methanesulfonamido)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833655
[2-(benzenesulfonamido)-5-methyl-4-oxo-5-phenylfuran-3-yl] acetate
CID 140833803
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833963
[2-(3-bromopropylsulfonylamino)-5-(3-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834097
[2-benzamido-5-(3-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834170
[2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833781
[2-(benzenesulfonamido)-5-(2-methoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834171
[2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate
CID 140833877
[2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834057
[5-(2-chloro-4-fluorophenyl)-2-(ethylsulfonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833701
[5-(4-chloro-3-fluorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834404

Frequently Asked Questions

What is the IUPAC name of [2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate?
The IUPAC name of [2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate (CID 140834227) is [2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate.
What is the SMILES notation for [2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate?
The canonical SMILES for [2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate is CC(=O)OC1=C(NS(C)(=O)=O)OC(C)(c2ccc3ccccc3c2)C1=O.
What is the InChIKey of [2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate?
The InChIKey is TVDBEKIVFJOBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6S/c1-11(20)24-15-16(21)18(2,25-17(15)19-26(3,22)23)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,19H,1-3H3.
What are the key properties of [2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate?
[2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate has a molecular weight of 375.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methanesulfonamido)-5-methyl-5-naphthalen-2-yl-4-oxofuran-3-yl] acetate is sourced from PubChem (CID 140834227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).