3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide

C26H27NO4S — CID 52723374

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C26H27NO4S/c28-26(16-18-32(29,30)23-14-13-21-9-6-10-22(21)19-23)27-24-11-4-5-12-25(24)31-17-15-20-7-2-1-3-8-20/h1-5,7-8,11-14,19H,6,9-10,15-18H2,(H,27,28)
InChIKeyHLXPUEAPLNWVGG-UHFFFAOYSA-N
MW449.57 g/mol
LogP4.60
Rot. Bonds9

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide (PubChem CID 52723374) has the molecular formula C26H27NO4S and a molecular weight of 449.57 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide
PubChem CID52723374
Molecular FormulaC26H27NO4S
Molecular Weight449.57 g/mol
Exact Mass449.17
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C26H27NO4S/c28-26(16-18-32(29,30)23-14-13-21-9-6-10-22(21)19-23)27-24-11-4-5-12-25(24)31-17-15-20-7-2-1-3-8-20/h1-5,7-8,11-14,19H,6,9-10,15-18H2,(H,27,28)
InChIKeyHLXPUEAPLNWVGG-UHFFFAOYSA-N
XLogP4.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide
CID 60553577
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide
CID 15993621
3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide
CID 26898062
N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119515659
3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide
CID 60534328
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 110422136
N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119618457
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide
CID 71938729
2-[(3-bromophenyl)methylsulfonyl]-N-[2-(2-phenylethoxy)phenyl]acetamide
CID 60531511
N-(2-anilino-2-oxoethyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpropanamide
CID 55706970

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide (CID 52723374) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide is O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1ccccc1OCCc1ccccc1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide?
The InChIKey is HLXPUEAPLNWVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4S/c28-26(16-18-32(29,30)23-14-13-21-9-6-10-22(21)19-23)27-24-11-4-5-12-25(24)31-17-15-20-7-2-1-3-8-20/h1-5,7-8,11-14,19H,6,9-10,15-18H2,(H,27,28).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide has a molecular weight of 449.57 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide is sourced from PubChem (CID 52723374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).