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

C25H24N2O3S — CID 92501004

IUPACN-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C25H24N2O3S/c1-17-8-10-18(11-9-17)23(27-12-14-29-15-13-27)24-22(19-5-2-3-6-20(19)30-24)26-25(28)21-7-4-16-31-21/h2-11,16,23H,12-15H2,1H3,(H,26,28)/t23-/m0/s1
InChIKeyDRUAKRDKCFYUMS-QHCPKHFHSA-N
MW432.55 g/mol
LogP5.48
Rot. Bonds5

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

N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (PubChem CID 92501004) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
PubChem CID92501004
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C25H24N2O3S/c1-17-8-10-18(11-9-17)23(27-12-14-29-15-13-27)24-22(19-5-2-3-6-20(19)30-24)26-25(28)21-7-4-16-31-21/h2-11,16,23H,12-15H2,1H3,(H,26,28)/t23-/m0/s1
InChIKeyDRUAKRDKCFYUMS-QHCPKHFHSA-N
XLogP5.48
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 46270044
N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92765182
N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500977
N-[2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500979
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
4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 92501125
N-[2-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270061
N-[2-[(S)-(3-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500976
N-[2-[(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 46270031
N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500992
4-methyl-N-[2-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270087

Frequently Asked Questions

What is the IUPAC name of N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (CID 92501004) is N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is Cc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The InChIKey is DRUAKRDKCFYUMS-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-17-8-10-18(11-9-17)23(27-12-14-29-15-13-27)24-22(19-5-2-3-6-20(19)30-24)26-25(28)21-7-4-16-31-21/h2-11,16,23H,12-15H2,1H3,(H,26,28)/t23-/m0/s1.
What are the key properties of N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 92501004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).