[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

C26H24N2O6S — CID 42988578

IUPAC[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OC(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H24N2O6S/c1-17-12-13-21(35(31,32)27-16-20-9-6-14-33-20)15-23(17)26(30)34-18(2)25(29)28-24-11-5-8-19-7-3-4-10-22(19)24/h3-15,18,27H,16H2,1-2H3,(H,28,29)
InChIKeyNOUDCKLSHZGRCE-UHFFFAOYSA-N
MW492.55 g/mol
LogP4.40
Rot. Bonds8

About [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (PubChem CID 42988578) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
PubChem CID42988578
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Name[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OC(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H24N2O6S/c1-17-12-13-21(35(31,32)27-16-20-9-6-14-33-20)15-23(17)26(30)34-18(2)25(29)28-24-11-5-8-19-7-3-4-10-22(19)24/h3-15,18,27H,16H2,1-2H3,(H,28,29)
InChIKeyNOUDCKLSHZGRCE-UHFFFAOYSA-N
XLogP4.40
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 43015178
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 46794148
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550072
(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 46691070
(1-anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7377262
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535095
2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 46794226
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 46668074
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521809
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494

Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (CID 42988578) is [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OC(C)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The InChIKey is NOUDCKLSHZGRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-17-12-13-21(35(31,32)27-16-20-9-6-14-33-20)15-23(17)26(30)34-18(2)25(29)28-24-11-5-8-19-7-3-4-10-22(19)24/h3-15,18,27H,16H2,1-2H3,(H,28,29).
What are the key properties of [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate has a molecular weight of 492.55 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 42988578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).