6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide

C22H23NO4S — CID 35344277

IUPAC6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(Cc3sccc3C)C[C@H]3CCCO3)cc(=O)c2c1
InChIInChI=1S/C22H23NO4S/c1-14-5-6-19-17(10-14)18(24)11-20(27-19)22(25)23(12-16-4-3-8-26-16)13-21-15(2)7-9-28-21/h5-7,9-11,16H,3-4,8,12-13H2,1-2H3/t16-/m1/s1
InChIKeyLMSLPNQSFBOSKJ-MRXNPFEDSA-N
MW397.50 g/mol
LogP4.29
Rot. Bonds5

About 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide

6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide (PubChem CID 35344277) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
PubChem CID35344277
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC Name6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(Cc3sccc3C)C[C@H]3CCCO3)cc(=O)c2c1
InChIInChI=1S/C22H23NO4S/c1-14-5-6-19-17(10-14)18(24)11-20(27-19)22(25)23(12-16-4-3-8-26-16)13-21-15(2)7-9-28-21/h5-7,9-11,16H,3-4,8,12-13H2,1-2H3/t16-/m1/s1
InChIKeyLMSLPNQSFBOSKJ-MRXNPFEDSA-N
XLogP4.29
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide with MolForge

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Related Compounds

4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35541317
6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843151
N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541235
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541197
N-[(4-chlorophenyl)methyl]-6,7-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 40871229
4-bromo-N-[(3-methylthiophen-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40850953
6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843506
5-(2,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 35572877
6-fluoro-N-(furan-2-ylmethyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541191
6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541273
6-chloro-N-(furan-2-ylmethyl)-7-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35338090
N-(furan-2-ylmethyl)-7-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 35341301

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The IUPAC name of 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide (CID 35344277) is 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The canonical SMILES for 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide is Cc1ccc2oc(C(=O)N(Cc3sccc3C)C[C@H]3CCCO3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide?
The InChIKey is LMSLPNQSFBOSKJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-14-5-6-19-17(10-14)18(24)11-20(27-19)22(25)23(12-16-4-3-8-26-16)13-21-15(2)7-9-28-21/h5-7,9-11,16H,3-4,8,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide?
6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide is sourced from PubChem (CID 35344277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).