[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate

C18H17NO5S — CID 31674517

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)/C=C/c1ccc(C)s1
InChIInChI=1S/C18H17NO5S/c1-12-7-8-13(25-12)9-10-17(21)24-11-16(20)19-18(22)14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,19,20,22)/b10-9+
InChIKeyMBADJRKFPRHDRH-MDZDMXLPSA-N
MW359.40 g/mol
LogP2.58
Rot. Bonds6

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate (PubChem CID 31674517) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
PubChem CID31674517
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)/C=C/c1ccc(C)s1
InChIInChI=1S/C18H17NO5S/c1-12-7-8-13(25-12)9-10-17(21)24-11-16(20)19-18(22)14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,19,20,22)/b10-9+
InChIKeyMBADJRKFPRHDRH-MDZDMXLPSA-N
XLogP2.58
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)prop-2-enoate
CID 7042621
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 7690170
ethyl (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 13145237
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 8608875
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-[5-chloro-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazol-4-yl]prop-2-enoate
CID 2497946
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2624849
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2635522
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39415072
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515349
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 8935775
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951282
(2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849819

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate (CID 31674517) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate is COc1ccccc1C(=O)NC(=O)COC(=O)/C=C/c1ccc(C)s1.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate?
The InChIKey is MBADJRKFPRHDRH-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-12-7-8-13(25-12)9-10-17(21)24-11-16(20)19-18(22)14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,19,20,22)/b10-9+.
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate has a molecular weight of 359.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate is sourced from PubChem (CID 31674517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).