N-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide

C26H29N3O4S — CID 69315497

IUPACN-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide
SMILESCc1sccc1N1CCC(NC(=O)C2(NC(=O)c3cc4ccccc4o3)CCCCC2)C(=O)C1
InChIInChI=1S/C26H29N3O4S/c1-17-20(10-14-34-17)29-13-9-19(21(30)16-29)27-25(32)26(11-5-2-6-12-26)28-24(31)23-15-18-7-3-4-8-22(18)33-23/h3-4,7-8,10,14-15,19H,2,5-6,9,11-13,16H2,1H3,(H,27,32)(H,28,31)
InChIKeyMBMYIKZBQAGUFO-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.20
Rot. Bonds5

About N-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide

N-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide (PubChem CID 69315497) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide
PubChem CID69315497
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide
SMILESCc1sccc1N1CCC(NC(=O)C2(NC(=O)c3cc4ccccc4o3)CCCCC2)C(=O)C1
InChIInChI=1S/C26H29N3O4S/c1-17-20(10-14-34-17)29-13-9-19(21(30)16-29)27-25(32)26(11-5-2-6-12-26)28-24(31)23-15-18-7-3-4-8-22(18)33-23/h3-4,7-8,10,14-15,19H,2,5-6,9,11-13,16H2,1H3,(H,27,32)(H,28,31)
InChIKeyMBMYIKZBQAGUFO-UHFFFAOYSA-N
XLogP4.20
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Benzofurancarboxamide, N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-
CID 11696813
N-[4-(4-phenylpiperazin-1-yl)butyl]-1-benzofuran-2-carboxamide
CID 51122451
N-[2-methoxy-4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1132525
3-(methylsulfanylmethyl)-N-(2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 2677582
N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxo-1-thiophen-2-ylethyl]-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 3179657
N-[1-(thiophen-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 3244519
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 6603526
N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 44399214
Furan-2-carboxylic acid (3-acetyl-phenyl)-(cyclopentylcarbamoyl-thiophen-2-yl-methyl)-amide
CID 3196612
N-(4-Fluorophenyl)-3-[2-(thiophen-2-YL)acetamido]-1-benzofuran-2-carboxamide
CID 16009710
N-(2-methoxyphenyl)-3-(2-(thiophen-2-yl)acetamido)benzofuran-2-carboxamide
CID 16009866
3-(methylsulfanylmethyl)-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 2525863

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide (CID 69315497) is N-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide is Cc1sccc1N1CCC(NC(=O)C2(NC(=O)c3cc4ccccc4o3)CCCCC2)C(=O)C1.
What is the InChIKey of N-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide?
The InChIKey is MBMYIKZBQAGUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-17-20(10-14-34-17)29-13-9-19(21(30)16-29)27-25(32)26(11-5-2-6-12-26)28-24(31)23-15-18-7-3-4-8-22(18)33-23/h3-4,7-8,10,14-15,19H,2,5-6,9,11-13,16H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide?
N-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(2-methylthiophen-3-yl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 69315497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).