N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide

C25H24N2O4S — CID 92500977

IUPACN-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESCOc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C25H24N2O4S/c1-29-19-9-4-3-8-18(19)23(27-12-14-30-15-13-27)24-22(17-7-2-5-10-20(17)31-24)26-25(28)21-11-6-16-32-21/h2-11,16,23H,12-15H2,1H3,(H,26,28)/t23-/m1/s1
InChIKeyHHFNAYCGACVCHX-HSZRJFAPSA-N
MW448.54 g/mol
LogP5.18
Rot. Bonds6

About N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide

N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (PubChem CID 92500977) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
PubChem CID92500977
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESCOc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C25H24N2O4S/c1-29-19-9-4-3-8-18(19)23(27-12-14-30-15-13-27)24-22(17-7-2-5-10-20(17)31-24)26-25(28)21-11-6-16-32-21/h2-11,16,23H,12-15H2,1H3,(H,26,28)/t23-/m1/s1
InChIKeyHHFNAYCGACVCHX-HSZRJFAPSA-N
XLogP5.18
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501051
N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92501004
N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 46270044
N-[2-[(S)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 92765199
N-[2-[(R)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500969
N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500970
N-[2-[(R)-(2,3-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 92500957
N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500992
N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 46270031
N-[2-[(2,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]-4-methylbenzamide
CID 46270093
N-[2-[(S)-(3-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500976
N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92765182

Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (CID 92500977) is N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is COc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1cccs1)N1CCOCC1.
What is the InChIKey of N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The InChIKey is HHFNAYCGACVCHX-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-29-19-9-4-3-8-18(19)23(27-12-14-30-15-13-27)24-22(17-7-2-5-10-20(17)31-24)26-25(28)21-11-6-16-32-21/h2-11,16,23H,12-15H2,1H3,(H,26,28)/t23-/m1/s1.
What are the key properties of N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 92500977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).