[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate

C25H24N2O6S — CID 35486595

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C25H24N2O6S/c1-31-20-10-6-5-9-18(20)23(29)26-22(28)16-33-25(30)21-15-19(17-7-3-2-4-8-17)24(34-21)27-11-13-32-14-12-27/h2-10,15H,11-14,16H2,1H3,(H,26,28,29)
InChIKeyQDOYMPNJEBNCIC-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.37
Rot. Bonds7

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate (PubChem CID 35486595) has the molecular formula C25H24N2O6S and a molecular weight of 480.54 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
PubChem CID35486595
Molecular FormulaC25H24N2O6S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
SMILESCOc1ccccc1C(=O)NC(=O)COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C25H24N2O6S/c1-31-20-10-6-5-9-18(20)23(29)26-22(28)16-33-25(30)21-15-19(17-7-3-2-4-8-17)24(34-21)27-11-13-32-14-12-27/h2-10,15H,11-14,16H2,1H3,(H,26,28,29)
InChIKeyQDOYMPNJEBNCIC-UHFFFAOYSA-N
XLogP3.37
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-oxo-2-(pentylamino)ethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 9126737
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 26232502
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7623207
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7649958
N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55577868
N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26781521
methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 24516873
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 18133713
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 27515240
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 55522936
methyl 1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 134033484

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate (CID 35486595) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate is COc1ccccc1C(=O)NC(=O)COC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
The InChIKey is QDOYMPNJEBNCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6S/c1-31-20-10-6-5-9-18(20)23(29)26-22(28)16-33-25(30)21-15-19(17-7-3-2-4-8-17)24(34-21)27-11-13-32-14-12-27/h2-10,15H,11-14,16H2,1H3,(H,26,28,29).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate has a molecular weight of 480.54 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate is sourced from PubChem (CID 35486595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).