[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate

C17H20N2O6S — CID 8925134

IUPAC[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O6S/c1-12-5-7-15(8-6-12)26(22,23)19-11-16(20)25-13(2)17(21)18-10-14-4-3-9-24-14/h3-9,13,19H,10-11H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyMNHAEAGSNUUDFO-CYBMUJFWSA-N
MW380.42 g/mol
LogP1.11
Rot. Bonds8

About [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 8925134) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID8925134
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O6S/c1-12-5-7-15(8-6-12)26(22,23)19-11-16(20)25-13(2)17(21)18-10-14-4-3-9-24-14/h3-9,13,19H,10-11H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyMNHAEAGSNUUDFO-CYBMUJFWSA-N
XLogP1.11
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 46617584
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-(ethylsulfamoyl)-2-methylbenzoate
CID 46794148
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596265
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187447
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535095
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920628
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839538
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 46617225
N-(furan-2-ylmethyl)-2-[(4-phenylphenyl)sulfonylamino]acetamide
CID 87024650
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925115
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 51437130
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 55448764

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 8925134) is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NCc2ccco2)cc1.
What is the InChIKey of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is MNHAEAGSNUUDFO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-12-5-7-15(8-6-12)26(22,23)19-11-16(20)25-13(2)17(21)18-10-14-4-3-9-24-14/h3-9,13,19H,10-11H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 380.42 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 8925134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).