2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide

C20H26N2O2S — CID 74238215

IUPAC2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)NC3CCN(C4CCSCC4)CC3)c2o1
InChIInChI=1S/C20H26N2O2S/c1-14-13-15-3-2-4-18(19(15)24-14)20(23)21-16-5-9-22(10-6-16)17-7-11-25-12-8-17/h2-4,13,16-17H,5-12H2,1H3,(H,21,23)
InChIKeyQTWYVTIUOIKKDN-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.83
Rot. Bonds3

About 2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide

2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide (PubChem CID 74238215) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide
PubChem CID74238215
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)NC3CCN(C4CCSCC4)CC3)c2o1
InChIInChI=1S/C20H26N2O2S/c1-14-13-15-3-2-4-18(19(15)24-14)20(23)21-16-5-9-22(10-6-16)17-7-11-25-12-8-17/h2-4,13,16-17H,5-12H2,1H3,(H,21,23)
InChIKeyQTWYVTIUOIKKDN-UHFFFAOYSA-N
XLogP3.83
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide
CID 131923221
N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide
CID 167948096
2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-1-benzofuran-7-carboxamide
CID 91776897
2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide
CID 118785685
1,3-dimethyl-2,6-dioxo-N-[1-(thian-4-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 72837326
N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide
CID 49016386
3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 74237167
2-methyl-N-[(1R,3R)-3-[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]amino]cyclohexyl]-1-benzofuran-7-carboxamide
CID 146038447
2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide
CID 45182441
N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide
CID 74234094
5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
CID 120641743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide?
The IUPAC name of 2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide (CID 74238215) is 2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide is Cc1cc2cccc(C(=O)NC3CCN(C4CCSCC4)CC3)c2o1.
What is the InChIKey of 2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide?
The InChIKey is QTWYVTIUOIKKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-14-13-15-3-2-4-18(19(15)24-14)20(23)21-16-5-9-22(10-6-16)17-7-11-25-12-8-17/h2-4,13,16-17H,5-12H2,1H3,(H,21,23).
What are the key properties of 2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide?
2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(thian-4-yl)piperidin-4-yl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 74238215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).