N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide

C26H26N2O2S — CID 148771618

IUPACN-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(CN3CCCCC3)s2)c2c1C(=O)CC2)c1ccccc1
InChIInChI=1S/C26H26N2O2S/c29-23-13-11-21-20(24-14-9-19(31-24)17-28-15-5-2-6-16-28)10-12-22(25(21)23)27-26(30)18-7-3-1-4-8-18/h1,3-4,7-10,12,14H,2,5-6,11,13,15-17H2,(H,27,30)
InChIKeyOINFNBXNRAAYAA-UHFFFAOYSA-N
MW430.57 g/mol
LogP5.78
Rot. Bonds5

About N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide

N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide (PubChem CID 148771618) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide
PubChem CID148771618
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC NameN-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(CN3CCCCC3)s2)c2c1C(=O)CC2)c1ccccc1
InChIInChI=1S/C26H26N2O2S/c29-23-13-11-21-20(24-14-9-19(31-24)17-28-15-5-2-6-16-28)10-12-22(25(21)23)27-26(30)18-7-3-1-4-8-18/h1,3-4,7-10,12,14H,2,5-6,11,13,15-17H2,(H,27,30)
InChIKeyOINFNBXNRAAYAA-UHFFFAOYSA-N
XLogP5.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 18699995
N-[5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]benzamide;hydrochloride
CID 18700007
N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
CID 157396417
N-(3-oxo-7-phenylsulfanyl-1,2-dihydroinden-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 158600607
4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide
CID 161302701
N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide
CID 147926657
N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide
CID 159920274
N-[7-(2-methyl-1,3-benzoxazol-7-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 159069224
4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 149052583
3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 162075474
N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide
CID 161482084
N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide
CID 5158950

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide?
The IUPAC name of N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide (CID 148771618) is N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide.
What is the SMILES notation for N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide?
The canonical SMILES for N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide is O=C(Nc1ccc(-c2ccc(CN3CCCCC3)s2)c2c1C(=O)CC2)c1ccccc1.
What is the InChIKey of N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide?
The InChIKey is OINFNBXNRAAYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c29-23-13-11-21-20(24-14-9-19(31-24)17-28-15-5-2-6-16-28)10-12-22(25(21)23)27-26(30)18-7-3-1-4-8-18/h1,3-4,7-10,12,14H,2,5-6,11,13,15-17H2,(H,27,30).
What are the key properties of N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide?
N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-7-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1,2-dihydroinden-4-yl]benzamide is sourced from PubChem (CID 148771618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).