4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide

C26H27N3O3S — CID 161302701

IUPAC4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide
SMILESO=C(Nc1ccc(-c2cccs2)c2c1C(=O)CC2)c1ccc(NCCN2CCOCC2)cc1
InChIInChI=1S/C26H27N3O3S/c30-23-10-8-21-20(24-2-1-17-33-24)7-9-22(25(21)23)28-26(31)18-3-5-19(6-4-18)27-11-12-29-13-15-32-16-14-29/h1-7,9,17,27H,8,10-16H2,(H,28,31)
InChIKeyVHVGLUQHROAWGW-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.54
Rot. Bonds7

About 4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide

4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide (PubChem CID 161302701) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide
PubChem CID161302701
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide
SMILESO=C(Nc1ccc(-c2cccs2)c2c1C(=O)CC2)c1ccc(NCCN2CCOCC2)cc1
InChIInChI=1S/C26H27N3O3S/c30-23-10-8-21-20(24-2-1-17-33-24)7-9-22(25(21)23)28-26(31)18-3-5-19(6-4-18)27-11-12-29-13-15-32-16-14-29/h1-7,9,17,27H,8,10-16H2,(H,28,31)
InChIKeyVHVGLUQHROAWGW-UHFFFAOYSA-N
XLogP4.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide with MolForge

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Related Compounds

N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide
CID 161482084
N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
CID 157396417
N-[7-(2-methyl-1,3-benzoxazol-7-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 159069224
N-(3-oxo-7-phenylsulfanyl-1,2-dihydroinden-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 158600607
N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide
CID 147020302
N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide
CID 160848649
N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639077
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779611
N-(7-anilino-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
CID 122639099
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113010875
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide?
The IUPAC name of 4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide (CID 161302701) is 4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide.
What is the SMILES notation for 4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide?
The canonical SMILES for 4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide is O=C(Nc1ccc(-c2cccs2)c2c1C(=O)CC2)c1ccc(NCCN2CCOCC2)cc1.
What is the InChIKey of 4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide?
The InChIKey is VHVGLUQHROAWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c30-23-10-8-21-20(24-2-1-17-33-24)7-9-22(25(21)23)28-26(31)18-3-5-19(6-4-18)27-11-12-29-13-15-32-16-14-29/h1-7,9,17,27H,8,10-16H2,(H,28,31).
What are the key properties of 4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide?
4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide has a molecular weight of 461.59 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide is sourced from PubChem (CID 161302701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).