ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate

C24H21N3O5S2 — CID 24570083

IUPACethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1
InChIInChI=1S/C24H21N3O5S2/c1-3-32-23(30)18-11-12-33-21(18)26-20(28)14-34-24-25-19-10-5-4-9-17(19)22(29)27(24)15-7-6-8-16(13-15)31-2/h4-13H,3,14H2,1-2H3,(H,26,28)
InChIKeyQWTYUMUIYUMKAJ-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.36
Rot. Bonds8

About ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate

ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate (PubChem CID 24570083) has the molecular formula C24H21N3O5S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate
PubChem CID24570083
Molecular FormulaC24H21N3O5S2
Molecular Weight495.58 g/mol
Exact Mass495.09
IUPAC Nameethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1
InChIInChI=1S/C24H21N3O5S2/c1-3-32-23(30)18-11-12-33-21(18)26-20(28)14-34-24-25-19-10-5-4-9-17(19)22(29)27(24)15-7-6-8-16(13-15)31-2/h4-13H,3,14H2,1-2H3,(H,26,28)
InChIKeyQWTYUMUIYUMKAJ-UHFFFAOYSA-N
XLogP4.36
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

N-(3,5-dimethylphenyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16533099
N-[4-(diethylamino)phenyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16533093
2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 8017664
2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2392047
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 1273470
4-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 27905509
ethyl 2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 42326992
2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 714917
N,N-dibenzyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2365711
2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4848126
N-(3,5-dichloro-2-pyridinyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2417361
N-[(2,3-dimethylphenyl)carbamoyl]-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 24518296

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate (CID 24570083) is ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1.
What is the InChIKey of ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate?
The InChIKey is QWTYUMUIYUMKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S2/c1-3-32-23(30)18-11-12-33-21(18)26-20(28)14-34-24-25-19-10-5-4-9-17(19)22(29)27(24)15-7-6-8-16(13-15)31-2/h4-13H,3,14H2,1-2H3,(H,26,28).
What are the key properties of ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate?
ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate has a molecular weight of 495.58 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 24570083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).