[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

C18H17N3O5S — CID 7555018

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C18H17N3O5S/c1-11(22)20-14(9-12-5-3-2-4-6-12)18(25)26-10-15(23)21-17-13(16(19)24)7-8-27-17/h2-9H,10H2,1H3,(H2,19,24)(H,20,22)(H,21,23)/b14-9-
InChIKeyIDYJMDQIDVLGCG-ZROIWOOFSA-N
MW387.42 g/mol
LogP1.51
Rot. Bonds7

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (PubChem CID 7555018) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
PubChem CID7555018
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C18H17N3O5S/c1-11(22)20-14(9-12-5-3-2-4-6-12)18(25)26-10-15(23)21-17-13(16(19)24)7-8-27-17/h2-9H,10H2,1H3,(H2,19,24)(H,20,22)(H,21,23)/b14-9-
InChIKeyIDYJMDQIDVLGCG-ZROIWOOFSA-N
XLogP1.51
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284834
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 2610338
[2-(benzylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284841
[(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 98572547
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7555043
propyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 12635852
[2-(2,4-difluoroanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610224
[2-(3-methoxyanilino)-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 2610170
[2-(3-methylsulfanylanilino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284877
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 98572561
[2-oxo-2-(2-phenoxyethylamino)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 8522752

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate (CID 7555018) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
The InChIKey is IDYJMDQIDVLGCG-ZROIWOOFSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-11(22)20-14(9-12-5-3-2-4-6-12)18(25)26-10-15(23)21-17-13(16(19)24)7-8-27-17/h2-9H,10H2,1H3,(H2,19,24)(H,20,22)(H,21,23)/b14-9-.
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate has a molecular weight of 387.42 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate is sourced from PubChem (CID 7555018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).