N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide

C25H27N3O5S — CID 86294150

IUPACN-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc(OC)c(NC(=O)CN4CCOCC4)c3)s2)cc1
InChIInChI=1S/C25H27N3O5S/c1-31-19-6-3-17(4-7-19)22-9-10-23(34-22)25(30)26-18-5-8-21(32-2)20(15-18)27-24(29)16-28-11-13-33-14-12-28/h3-10,15H,11-14,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVUUXDGFUVGYIJN-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.96
Rot. Bonds8

About N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide

N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 86294150) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID86294150
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC NameN-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc(OC)c(NC(=O)CN4CCOCC4)c3)s2)cc1
InChIInChI=1S/C25H27N3O5S/c1-31-19-6-3-17(4-7-19)22-9-10-23(34-22)25(30)26-18-5-8-21(32-2)20(15-18)27-24(29)16-28-11-13-33-14-12-28/h3-10,15H,11-14,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVUUXDGFUVGYIJN-UHFFFAOYSA-N
XLogP3.96
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 90459335
N-[3-methoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-(4-methoxyphenyl)-2-methylbenzamide
CID 155997760
tert-butyl-[4-[4-[[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]carbamoyl]phenyl]phenyl]carbamic acid
CID 118877629
6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
CID 90464932
N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide
CID 118393455
N-[5-[(2-chlorophenyl)carbamoylamino]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 3568292
N-(5-ethyl-2-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 154733696
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
CID 8680244
N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide
CID 134064364
N-(5-acetamido-2-methoxyphenyl)-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502105

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide (CID 86294150) is N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(-c2ccc(C(=O)Nc3ccc(OC)c(NC(=O)CN4CCOCC4)c3)s2)cc1.
What is the InChIKey of N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is VUUXDGFUVGYIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-31-19-6-3-17(4-7-19)22-9-10-23(34-22)25(30)26-18-5-8-21(32-2)20(15-18)27-24(29)16-28-11-13-33-14-12-28/h3-10,15H,11-14,16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 481.57 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 86294150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).