3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide

C27H26N2O5S — CID 31287590

IUPAC3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C27H26N2O5S/c1-17-22(27(31)29-12-14-33-15-13-29)26(35-24(17)18-8-4-3-5-9-18)28-25(30)23-20(16-32-2)19-10-6-7-11-21(19)34-23/h3-11H,12-16H2,1-2H3,(H,28,30)
InChIKeyYFLMSRLDOOCRDV-UHFFFAOYSA-N
MW490.58 g/mol
LogP5.34
Rot. Bonds6

About 3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 31287590) has the molecular formula C27H26N2O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide
PubChem CID31287590
Molecular FormulaC27H26N2O5S
Molecular Weight490.58 g/mol
Exact Mass490.16
IUPAC Name3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C27H26N2O5S/c1-17-22(27(31)29-12-14-33-15-13-29)26(35-24(17)18-8-4-3-5-9-18)28-25(30)23-20(16-32-2)19-10-6-7-11-21(19)34-23/h3-11H,12-16H2,1-2H3,(H,28,30)
InChIKeyYFLMSRLDOOCRDV-UHFFFAOYSA-N
XLogP5.34
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 18105358
ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate
CID 16566650
2-(2,6-dimethylphenoxy)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
CID 26071737
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447838
3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide
CID 16559104
4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide
CID 24617829
(2E,4E)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]hexa-2,4-dienamide
CID 18282194
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33170746
2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
CID 26596817
N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide
CID 30972009
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 16564184
2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-4-nitrobenzamide
CID 26071848

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide (CID 31287590) is 3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is YFLMSRLDOOCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S/c1-17-22(27(31)29-12-14-33-15-13-29)26(35-24(17)18-8-4-3-5-9-18)28-25(30)23-20(16-32-2)19-10-6-7-11-21(19)34-23/h3-11H,12-16H2,1-2H3,(H,28,30).
What are the key properties of 3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 31287590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).