naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate

C25H21NO6S — CID 102389708

IUPACnaphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate
SMILESC=C(C(=O)Oc1ccc2ccccc2c1)[C@H](NS(=O)(=O)c1ccc(OC)cc1)c1ccoc1
InChIInChI=1S/C25H21NO6S/c1-17(25(27)32-22-8-7-18-5-3-4-6-19(18)15-22)24(20-13-14-31-16-20)26-33(28,29)23-11-9-21(30-2)10-12-23/h3-16,24,26H,1H2,2H3/t24-/m0/s1
InChIKeyHYFUYYZLGICWOY-DEOSSOPVSA-N
MW463.51 g/mol
LogP4.62
Rot. Bonds8

About naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate

naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate (PubChem CID 102389708) has the molecular formula C25H21NO6S and a molecular weight of 463.51 g/mol. Its IUPAC name is naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Namenaphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate
PubChem CID102389708
Molecular FormulaC25H21NO6S
Molecular Weight463.51 g/mol
Exact Mass463.11
IUPAC Namenaphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate
SMILESC=C(C(=O)Oc1ccc2ccccc2c1)[C@H](NS(=O)(=O)c1ccc(OC)cc1)c1ccoc1
InChIInChI=1S/C25H21NO6S/c1-17(25(27)32-22-8-7-18-5-3-4-6-19(18)15-22)24(20-13-14-31-16-20)26-33(28,29)23-11-9-21(30-2)10-12-23/h3-16,24,26H,1H2,2H3/t24-/m0/s1
InChIKeyHYFUYYZLGICWOY-DEOSSOPVSA-N
XLogP4.62
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

naphthalen-2-yl 2-[(S)-(4-methoxyphenyl)-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate
CID 135055280
4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide
CID 2794488
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
methyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 14352064
phenyl 2-[(S)-(4-ethylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
CID 102465480
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
4-methoxy-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 110286966
ethyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 13360721
ethyl 2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 11089671
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate?
The IUPAC name of naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate (CID 102389708) is naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate.
What is the SMILES notation for naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate?
The canonical SMILES for naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate is C=C(C(=O)Oc1ccc2ccccc2c1)[C@H](NS(=O)(=O)c1ccc(OC)cc1)c1ccoc1.
What is the InChIKey of naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate?
The InChIKey is HYFUYYZLGICWOY-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H21NO6S/c1-17(25(27)32-22-8-7-18-5-3-4-6-19(18)15-22)24(20-13-14-31-16-20)26-33(28,29)23-11-9-21(30-2)10-12-23/h3-16,24,26H,1H2,2H3/t24-/m0/s1.
What are the key properties of naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate?
naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate has a molecular weight of 463.51 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 2-[(R)-furan-3-yl-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate is sourced from PubChem (CID 102389708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).