7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide

C20H19BrN2O4S — CID 35576051

IUPAC7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(=O)c2ccc(Br)cc2o1
InChIInChI=1S/C20H19BrN2O4S/c21-13-3-4-14-16(24)11-18(27-17(14)10-13)20(25)22-12-15(19-2-1-9-28-19)23-5-7-26-8-6-23/h1-4,9-11,15H,5-8,12H2,(H,22,25)/t15-/m0/s1
InChIKeyHZGKOXWVOGYADK-HNNXBMFYSA-N
MW463.35 g/mol
LogP3.42
Rot. Bonds5

About 7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide

7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide (PubChem CID 35576051) has the molecular formula C20H19BrN2O4S and a molecular weight of 463.35 g/mol. Its IUPAC name is 7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
PubChem CID35576051
Molecular FormulaC20H19BrN2O4S
Molecular Weight463.35 g/mol
Exact Mass462.02
IUPAC Name7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(=O)c2ccc(Br)cc2o1
InChIInChI=1S/C20H19BrN2O4S/c21-13-3-4-14-16(24)11-18(27-17(14)10-13)20(25)22-12-15(19-2-1-9-28-19)23-5-7-26-8-6-23/h1-4,9-11,15H,5-8,12H2,(H,22,25)/t15-/m0/s1
InChIKeyHZGKOXWVOGYADK-HNNXBMFYSA-N
XLogP3.42
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-7-bromo-4-oxochromene-2-carboxamide
CID 35575728
6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 35574751
6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide
CID 45155279
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
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
7-bromo-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35575863
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 42896547
6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35573765
6-chloro-4-oxo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)chromene-2-carboxamide;hydrochloride
CID 52985434
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-chloro-4-oxochromene-2-carboxamide
CID 35575825
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-ethyl-4-oxochromene-2-carboxamide
CID 35575834

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide (CID 35576051) is 7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide is O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(=O)c2ccc(Br)cc2o1.
What is the InChIKey of 7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?
The InChIKey is HZGKOXWVOGYADK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19BrN2O4S/c21-13-3-4-14-16(24)11-18(27-17(14)10-13)20(25)22-12-15(19-2-1-9-28-19)23-5-7-26-8-6-23/h1-4,9-11,15H,5-8,12H2,(H,22,25)/t15-/m0/s1.
What are the key properties of 7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?
7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide has a molecular weight of 463.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35576051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).