[2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

C15H21NO3S — CID 2999349

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NC1CCCCCC1
InChIInChI=1S/C15H21NO3S/c17-14(16-13-5-3-1-2-4-6-13)10-19-15(18)9-12-7-8-20-11-12/h7-8,11,13H,1-6,9-10H2,(H,16,17)
InChIKeyDCXVLRXGHNEQGV-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.67
Rot. Bonds5

About [2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2999349) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2999349
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NC1CCCCCC1
InChIInChI=1S/C15H21NO3S/c17-14(16-13-5-3-1-2-4-6-13)10-19-15(18)9-12-7-8-20-11-12/h7-8,11,13H,1-6,9-10H2,(H,16,17)
InChIKeyDCXVLRXGHNEQGV-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338047
[2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4373915
[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-thiophen-3-ylacetate
CID 2998730
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3359928
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3948475
[(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate
CID 15232075
2-Methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate
CID 22492259
Ethyl 2-acetamido-3-(thiophen-3-yl)propanoate
CID 22747902
methyl (2S)-4-methyl-2-[(2-thiophen-3-ylacetyl)amino]pentanoate
CID 46946104
N-[(3thienyl)acetyl]alanine Iso-butyl Ester
CID 53969374
2-((Thien-3-yl)acetamido]butyric acid iso-butyl ester
CID 54265759
Butyl 2-[(2-thiophen-3-ylacetyl)amino]butanoate
CID 70132893

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2999349) is [2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is DCXVLRXGHNEQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c17-14(16-13-5-3-1-2-4-6-13)10-19-15(18)9-12-7-8-20-11-12/h7-8,11,13H,1-6,9-10H2,(H,16,17).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 295.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2999349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).