[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate

C18H17NO4S — CID 8748008

IUPAC[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NCCc1cccs1
InChIInChI=1S/C18H17NO4S/c20-17(19-8-7-15-5-3-9-24-15)12-23-18(21)14-10-13-4-1-2-6-16(13)22-11-14/h1-6,9-10H,7-8,11-12H2,(H,19,20)
InChIKeyMVWUAJHPILPQPE-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.43
Rot. Bonds6

About [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate (PubChem CID 8748008) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate
PubChem CID8748008
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NCCc1cccs1
InChIInChI=1S/C18H17NO4S/c20-17(19-8-7-15-5-3-9-24-15)12-23-18(21)14-10-13-4-1-2-6-16(13)22-11-14/h1-6,9-10H,7-8,11-12H2,(H,19,20)
InChIKeyMVWUAJHPILPQPE-UHFFFAOYSA-N
XLogP2.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8821543
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate
CID 8861267
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741829
[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741779
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 18158022
[2-(3,5-dichloroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741886
[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742118
[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2H-chromene-3-carboxylate
CID 8821553
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate
CID 8936148
[2-(3,4-difluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741788

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate (CID 8748008) is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate is O=C(COC(=O)C1=Cc2ccccc2OC1)NCCc1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate?
The InChIKey is MVWUAJHPILPQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c20-17(19-8-7-15-5-3-9-24-15)12-23-18(21)14-10-13-4-1-2-6-16(13)22-11-14/h1-6,9-10H,7-8,11-12H2,(H,19,20).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate?
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8748008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).