4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide

C26H30N2O5S — CID 58975069

IUPAC4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCO1)c1ccc(S(=O)(=O)n2cc(C3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C26H30N2O5S/c29-26(27-17-21-5-3-4-14-33-21)20-8-10-22(11-9-20)34(30,31)28-18-24(19-12-15-32-16-13-19)23-6-1-2-7-25(23)28/h1-2,6-11,18-19,21H,3-5,12-17H2,(H,27,29)
InChIKeyQXLFXMPXMWVUAB-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.07
Rot. Bonds6

About 4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide

4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide (PubChem CID 58975069) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide
PubChem CID58975069
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCCO1)c1ccc(S(=O)(=O)n2cc(C3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C26H30N2O5S/c29-26(27-17-21-5-3-4-14-33-21)20-8-10-22(11-9-20)34(30,31)28-18-24(19-12-15-32-16-13-19)23-6-1-2-7-25(23)28/h1-2,6-11,18-19,21H,3-5,12-17H2,(H,27,29)
InChIKeyQXLFXMPXMWVUAB-UHFFFAOYSA-N
XLogP4.07
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7436349
4-[(2-fluorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24980882
4-(cycloheptylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 109059992
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 3689763
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide
CID 72929925
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119300314
4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 46386325
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704
4-[benzenesulfonyl(methyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1118210

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of 4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide (CID 58975069) is 4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide is O=C(NCC1CCCCO1)c1ccc(S(=O)(=O)n2cc(C3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is QXLFXMPXMWVUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c29-26(27-17-21-5-3-4-14-33-21)20-8-10-22(11-9-20)34(30,31)28-18-24(19-12-15-32-16-13-19)23-6-1-2-7-25(23)28/h1-2,6-11,18-19,21H,3-5,12-17H2,(H,27,29).
What are the key properties of 4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide?
4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 482.60 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxan-4-yl)indol-1-yl]sulfonyl-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 58975069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).