propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate

C20H20N2O5S — CID 19289071

IUPACpropan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
SMILES[H]/N=c1\oc2c(OCC)cccc2cc1C(=O)Nc1sccc1C(=O)OC(C)C
InChIInChI=1S/C20H20N2O5S/c1-4-25-15-7-5-6-12-10-14(17(21)27-16(12)15)18(23)22-19-13(8-9-28-19)20(24)26-11(2)3/h5-11,21H,4H2,1-3H3,(H,22,23)/b21-17-
InChIKeyJFXQWMFCXVQZNS-FXBPSFAMSA-N
MW400.46 g/mol
LogP4.19
Rot. Bonds6

About propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate

propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 19289071) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID19289071
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Namepropan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
SMILES[H]/N=c1\oc2c(OCC)cccc2cc1C(=O)Nc1sccc1C(=O)OC(C)C
InChIInChI=1S/C20H20N2O5S/c1-4-25-15-7-5-6-12-10-14(17(21)27-16(12)15)18(23)22-19-13(8-9-28-19)20(24)26-11(2)3/h5-11,21H,4H2,1-3H3,(H,22,23)/b21-17-
InChIKeyJFXQWMFCXVQZNS-FXBPSFAMSA-N
XLogP4.19
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-ethoxy-2-imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 19573973
8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide
CID 19574031
8-ethoxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573961
methyl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 17281923
8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide
CID 40655174
N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide
CID 19573907
ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17281894
methyl 5-ethyl-2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 19572236
methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19572105
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-ethoxy-2-iminochromene-3-carboxamide
CID 17281906
ethyl 2-[(2-imino-6-nitrochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 17379742
8-hydroxy-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 19573969

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate (CID 19289071) is propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate is [H]/N=c1\oc2c(OCC)cccc2cc1C(=O)Nc1sccc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is JFXQWMFCXVQZNS-FXBPSFAMSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-4-25-15-7-5-6-12-10-14(17(21)27-16(12)15)18(23)22-19-13(8-9-28-19)20(24)26-11(2)3/h5-11,21H,4H2,1-3H3,(H,22,23)/b21-17-.
What are the key properties of propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate?
propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 400.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 19289071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).