2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide

C22H15ClN2O5S — CID 24523373

IUPAC2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl
InChIInChI=1S/C22H15ClN2O5S/c23-16-8-15-14(12-4-2-1-3-5-12)9-20(27)30-17(15)10-18(16)29-11-19(26)25-22-13(21(24)28)6-7-31-22/h1-10H,11H2,(H2,24,28)(H,25,26)
InChIKeyFXXOHQZHZAHAKX-UHFFFAOYSA-N
MW454.89 g/mol
LogP4.29
Rot. Bonds6

About 2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide

2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide (PubChem CID 24523373) has the molecular formula C22H15ClN2O5S and a molecular weight of 454.89 g/mol. Its IUPAC name is 2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide
PubChem CID24523373
Molecular FormulaC22H15ClN2O5S
Molecular Weight454.89 g/mol
Exact Mass454.04
IUPAC Name2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl
InChIInChI=1S/C22H15ClN2O5S/c23-16-8-15-14(12-4-2-1-3-5-12)9-20(27)30-17(15)10-18(16)29-11-19(26)25-22-13(21(24)28)6-7-31-22/h1-10H,11H2,(H2,24,28)(H,25,26)
InChIKeyFXXOHQZHZAHAKX-UHFFFAOYSA-N
XLogP4.29
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.89
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide
CID 24523378
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4911631
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2-chloro-3-pyridinyl)acetamide
CID 24520428
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
CID 4910456
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 2185652
tert-butyl 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988856
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554569
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
(6-chloro-2-oxo-4-phenylchromen-7-yl) (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 2065261
6-chloro-7-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]-4-phenylchromen-2-one
CID 43034128
2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide
CID 3674249
methyl 2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 55812005

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide (CID 24523373) is 2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl.
What is the InChIKey of 2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide?
The InChIKey is FXXOHQZHZAHAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O5S/c23-16-8-15-14(12-4-2-1-3-5-12)9-20(27)30-17(15)10-18(16)29-11-19(26)25-22-13(21(24)28)6-7-31-22/h1-10H,11H2,(H2,24,28)(H,25,26).
What are the key properties of 2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide?
2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide has a molecular weight of 454.89 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 24523373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).