methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate

C25H26N2O4S — CID 24516873

IUPACmethyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C25H26N2O4S/c1-30-23(28)17-21(19-10-6-3-7-11-19)26-24(29)22-16-20(18-8-4-2-5-9-18)25(32-22)27-12-14-31-15-13-27/h2-11,16,21H,12-15,17H2,1H3,(H,26,29)
InChIKeyYCKBNMWLCPMMHU-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.29
Rot. Bonds7

About methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate

methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate (PubChem CID 24516873) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate
PubChem CID24516873
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC Namemethyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C25H26N2O4S/c1-30-23(28)17-21(19-10-6-3-7-11-19)26-24(29)22-16-20(18-8-4-2-5-9-18)25(32-22)27-12-14-31-15-13-27/h2-11,16,21H,12-15,17H2,1H3,(H,26,29)
InChIKeyYCKBNMWLCPMMHU-UHFFFAOYSA-N
XLogP4.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate with MolForge

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Related Compounds

5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide
CID 27861002
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55577868
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 46592054
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
methyl 3-methyl-2-[(5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carbonyl)amino]butanoate
CID 110237373
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 35486595
N-(2,5-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9138242
N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55753857
N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26781521
N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 31848477
N-[(3-ethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55783627

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate (CID 24516873) is methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate is COC(=O)CC(NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)c1ccccc1.
What is the InChIKey of methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is YCKBNMWLCPMMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-30-23(28)17-21(19-10-6-3-7-11-19)26-24(29)22-16-20(18-8-4-2-5-9-18)25(32-22)27-12-14-31-15-13-27/h2-11,16,21H,12-15,17H2,1H3,(H,26,29).
What are the key properties of methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate?
methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 450.56 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 24516873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).