ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate

C14H19NO4S — CID 165145828

IUPACethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C\c1sccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO4S/c1-5-18-12(16)7-6-11-10(8-9-20-11)15-13(17)19-14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17)/b7-6-
InChIKeyUKBYLWYUFPDLRX-SREVYHEPSA-N
MW297.38 g/mol
LogP3.67
Rot. Bonds4

About ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate

ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate (PubChem CID 165145828) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate
PubChem CID165145828
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Nameethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C\c1sccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO4S/c1-5-18-12(16)7-6-11-10(8-9-20-11)15-13(17)19-14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17)/b7-6-
InChIKeyUKBYLWYUFPDLRX-SREVYHEPSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoate
CID 175668642
ethyl 3-[4-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoate
CID 67067542
ethyl 3-(3-chlorothiophen-2-yl)prop-2-enoate
CID 169481309
methyl 2-[(E)-3-ethoxy-3-oxoprop-1-enyl]thiophene-3-carboxylate
CID 134946572
ethyl (E)-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pent-2-enoate
CID 11267155
ethyl N-[2-(2-methylprop-1-enyl)thiophen-3-yl]carbamate
CID 15355949
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]acetate
CID 25113890
ethyl N-[2-[acetyl(methyl)amino]thiophen-3-yl]carbamate
CID 12669237
prop-2-ynyl (E)-3-(3-methylthiophen-2-yl)prop-2-enoate
CID 14126979
ethyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 54234690
ethyl (E)-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]prop-2-enoate
CID 59362824
tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate
CID 169466876

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate (CID 165145828) is ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate is CCOC(=O)/C=C\c1sccc1NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate?
The InChIKey is UKBYLWYUFPDLRX-SREVYHEPSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-5-18-12(16)7-6-11-10(8-9-20-11)15-13(17)19-14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17)/b7-6-.
What are the key properties of ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate?
ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate has a molecular weight of 297.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-2-yl]prop-2-enoate is sourced from PubChem (CID 165145828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).