ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate

C19H21NO4S — CID 40840537

IUPACethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3C2)sc(C)c1C
InChIInChI=1S/C19H21NO4S/c1-4-23-19(22)16-11(2)12(3)25-18(16)20-17(21)14-9-13-7-5-6-8-15(13)24-10-14/h5-8,14H,4,9-10H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyCVWLKUPYKKUNQI-CQSZACIVSA-N
MW359.45 g/mol
LogP3.73
Rot. Bonds4

About ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate

ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 40840537) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID40840537
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Nameethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3C2)sc(C)c1C
InChIInChI=1S/C19H21NO4S/c1-4-23-19(22)16-11(2)12(3)25-18(16)20-17(21)14-9-13-7-5-6-8-15(13)24-10-14/h5-8,14H,4,9-10H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyCVWLKUPYKKUNQI-CQSZACIVSA-N
XLogP3.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 40840539
ethyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)benzoate
CID 134041128
ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate
CID 124623423
ethyl 2-[[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-5-methyl-1,3-oxazole-4-carboxylate
CID 124623424
ethyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 42931117
ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 75859585
(2R)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95568673
ethyl 4,5-dimethyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylate
CID 903505
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838
(4-ethoxycarbonylphenyl) (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9455774
(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97072881
ethyl 4-ethyl-5-methyl-2-(9H-xanthene-9-carbonylamino)thiophene-3-carboxylate
CID 1008955

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 40840537) is ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3C2)sc(C)c1C.
What is the InChIKey of ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is CVWLKUPYKKUNQI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-4-23-19(22)16-11(2)12(3)25-18(16)20-17(21)14-9-13-7-5-6-8-15(13)24-10-14/h5-8,14H,4,9-10H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 359.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 40840537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).