6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide

C23H26N2O3S — CID 35574647

IUPAC6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCC3)cc(=O)c2c1
InChIInChI=1S/C23H26N2O3S/c1-2-16-8-9-20-17(13-16)19(26)14-21(28-20)23(27)24-15-18(22-7-6-12-29-22)25-10-4-3-5-11-25/h6-9,12-14,18H,2-5,10-11,15H2,1H3,(H,24,27)/t18-/m0/s1
InChIKeyLNHGZLAPCBQNKR-SFHVURJKSA-N
MW410.54 g/mol
LogP4.37
Rot. Bonds6

About 6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide

6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide (PubChem CID 35574647) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide.

Molecular Properties

Compound Name6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
PubChem CID35574647
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCC3)cc(=O)c2c1
InChIInChI=1S/C23H26N2O3S/c1-2-16-8-9-20-17(13-16)19(26)14-21(28-20)23(27)24-15-18(22-7-6-12-29-22)25-10-4-3-5-11-25/h6-9,12-14,18H,2-5,10-11,15H2,1H3,(H,24,27)/t18-/m0/s1
InChIKeyLNHGZLAPCBQNKR-SFHVURJKSA-N
XLogP4.37
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-ethyl-4-oxochromene-2-carboxamide
CID 35575834
6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35573765
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-chloro-4-oxochromene-2-carboxamide
CID 35575825
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 45154972
6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574665
6-ethyl-N-[2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 50751394
6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide
CID 45155475
6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35671586
6-chloro-4-oxo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)chromene-2-carboxamide;hydrochloride
CID 52985434
6-ethyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509494
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-7-bromo-4-oxochromene-2-carboxamide
CID 35575728
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide;hydrochloride
CID 146052473

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide?
The IUPAC name of 6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide (CID 35574647) is 6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide.
What is the SMILES notation for 6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide?
The canonical SMILES for 6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide is CCc1ccc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCC3)cc(=O)c2c1.
What is the InChIKey of 6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide?
The InChIKey is LNHGZLAPCBQNKR-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-2-16-8-9-20-17(13-16)19(26)14-21(28-20)23(27)24-15-18(22-7-6-12-29-22)25-10-4-3-5-11-25/h6-9,12-14,18H,2-5,10-11,15H2,1H3,(H,24,27)/t18-/m0/s1.
What are the key properties of 6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide?
6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide is sourced from PubChem (CID 35574647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).