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

C24H21BrN2O3S — CID 46270044

IUPACN-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1c(C(c2ccc(Br)cc2)N2CCOCC2)oc2ccccc12)c1cccs1
InChIInChI=1S/C24H21BrN2O3S/c25-17-9-7-16(8-10-17)22(27-11-13-29-14-12-27)23-21(18-4-1-2-5-19(18)30-23)26-24(28)20-6-3-15-31-20/h1-10,15,22H,11-14H2,(H,26,28)
InChIKeyQAGCUFKMXILZIV-UHFFFAOYSA-N
MW497.41 g/mol
LogP5.93
Rot. Bonds5

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

N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (PubChem CID 46270044) has the molecular formula C24H21BrN2O3S and a molecular weight of 497.41 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
PubChem CID46270044
Molecular FormulaC24H21BrN2O3S
Molecular Weight497.41 g/mol
Exact Mass496.05
IUPAC NameN-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1c(C(c2ccc(Br)cc2)N2CCOCC2)oc2ccccc12)c1cccs1
InChIInChI=1S/C24H21BrN2O3S/c25-17-9-7-16(8-10-17)22(27-11-13-29-14-12-27)23-21(18-4-1-2-5-19(18)30-23)26-24(28)20-6-3-15-31-20/h1-10,15,22H,11-14H2,(H,26,28)
InChIKeyQAGCUFKMXILZIV-UHFFFAOYSA-N
XLogP5.93
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.41
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92501004
N-[2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500979
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-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)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501103
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 92500941
N-[2-[(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 46270001
N-[2-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270061
N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 46269989
N-[2-[(S)-(3-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500976

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (CID 46270044) is N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is O=C(Nc1c(C(c2ccc(Br)cc2)N2CCOCC2)oc2ccccc12)c1cccs1.
What is the InChIKey of N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The InChIKey is QAGCUFKMXILZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O3S/c25-17-9-7-16(8-10-17)22(27-11-13-29-14-12-27)23-21(18-4-1-2-5-19(18)30-23)26-24(28)20-6-3-15-31-20/h1-10,15,22H,11-14H2,(H,26,28).
What are the key properties of N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide has a molecular weight of 497.41 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46270044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).