[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C20H18ClN3O6S — CID 3365953

IUPAC[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H18ClN3O6S/c1-13(19(25)24-18-9-6-15(21)11-22-18)30-20(26)14-4-7-17(8-5-14)31(27,28)23-12-16-3-2-10-29-16/h2-11,13,23H,12H2,1H3,(H,22,24,25)
InChIKeyYSIZATSPAKMIDB-UHFFFAOYSA-N
MW463.90 g/mol
LogP2.99
Rot. Bonds8

About [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 3365953) has the molecular formula C20H18ClN3O6S and a molecular weight of 463.90 g/mol. Its IUPAC name is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID3365953
Molecular FormulaC20H18ClN3O6S
Molecular Weight463.90 g/mol
Exact Mass463.06
IUPAC Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H18ClN3O6S/c1-13(19(25)24-18-9-6-15(21)11-22-18)30-20(26)14-4-7-17(8-5-14)31(27,28)23-12-16-3-2-10-29-16/h2-11,13,23H,12H2,1H3,(H,22,24,25)
InChIKeyYSIZATSPAKMIDB-UHFFFAOYSA-N
XLogP2.99
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-[(3,5-Dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2078980
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2533346
[1-[(3,5-Dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 2998877
3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-ylbenzamide
CID 4059652
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 4853275
4-(furan-2-ylmethylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106954
[2-[(3,5-Dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 4969723
6-[[2-(4-Chlorophenoxy)-2-(4-cyclopropylsulfonylphenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 68182540
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 4853901
4-(furan-2-ylmethylsulfamoyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 18107077
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2083641
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2339852

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 3365953) is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate is CC(OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is YSIZATSPAKMIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O6S/c1-13(19(25)24-18-9-6-15(21)11-22-18)30-20(26)14-4-7-17(8-5-14)31(27,28)23-12-16-3-2-10-29-16/h2-11,13,23H,12H2,1H3,(H,22,24,25).
What are the key properties of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 463.90 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 3365953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).