N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C20H23NO2S — CID 129422145

IUPACN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C20H23NO2S/c1-12-6-5-8-16(13(12)2)21-20(22)18-10-14-11-23-17-9-4-3-7-15(17)19(14)24-18/h3-4,7,9-10,12-13,16H,5-6,8,11H2,1-2H3,(H,21,22)/t12-,13+,16-/m1/s1
InChIKeyASPBTQIBFYDPAN-DVOMOZLQSA-N
MW341.48 g/mol
LogP4.86
Rot. Bonds2

About N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 129422145) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID129422145
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C20H23NO2S/c1-12-6-5-8-16(13(12)2)21-20(22)18-10-14-11-23-17-9-4-3-7-15(17)19(14)24-18/h3-4,7,9-10,12-13,16H,5-6,8,11H2,1-2H3,(H,21,22)/t12-,13+,16-/m1/s1
InChIKeyASPBTQIBFYDPAN-DVOMOZLQSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide with MolForge

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 46171578
7-chloro-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 92901701
N-(2,3-dimethylcyclohexyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22516824
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877886
2-methyl-2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119199749
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide;hydrochloride
CID 120947984
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621400
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18104059
N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 41187110
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 32624170
N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 71938599
N-(2-fluoro-4-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 26522788

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 129422145) is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide is C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is ASPBTQIBFYDPAN-DVOMOZLQSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-12-6-5-8-16(13(12)2)21-20(22)18-10-14-11-23-17-9-4-3-7-15(17)19(14)24-18/h3-4,7,9-10,12-13,16H,5-6,8,11H2,1-2H3,(H,21,22)/t12-,13+,16-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 129422145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).