6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide

C21H22N2O3S — CID 35573765

IUPAC6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc(=O)c2c1
InChIInChI=1S/C21H22N2O3S/c1-14-6-7-18-15(11-14)17(24)12-19(26-18)21(25)22-13-16(20-5-4-10-27-20)23-8-2-3-9-23/h4-7,10-12,16H,2-3,8-9,13H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyXXBULHWIZHXRNI-MRXNPFEDSA-N
MW382.49 g/mol
LogP3.73
Rot. Bonds5

About 6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide

6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide (PubChem CID 35573765) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
PubChem CID35573765
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc(=O)c2c1
InChIInChI=1S/C21H22N2O3S/c1-14-6-7-18-15(11-14)17(24)12-19(26-18)21(25)22-13-16(20-5-4-10-27-20)23-8-2-3-9-23/h4-7,10-12,16H,2-3,8-9,13H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyXXBULHWIZHXRNI-MRXNPFEDSA-N
XLogP3.73
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-ethyl-4-oxochromene-2-carboxamide
CID 35575834
6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574647
6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574665
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 45154972
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-chloro-4-oxochromene-2-carboxamide
CID 35575825
6-chloro-4-oxo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)chromene-2-carboxamide;hydrochloride
CID 52985434
3,5-dimethyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35579101
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide;hydrochloride
CID 146052473
6-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45132876
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 35579887
6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509651
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide
CID 35574240

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide (CID 35573765) is 6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide is Cc1ccc2oc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide?
The InChIKey is XXBULHWIZHXRNI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-6-7-18-15(11-14)17(24)12-19(26-18)21(25)22-13-16(20-5-4-10-27-20)23-8-2-3-9-23/h4-7,10-12,16H,2-3,8-9,13H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of 6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide?
6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide is sourced from PubChem (CID 35573765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).