2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C23H31N3O5S — CID 40940130

IUPAC2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)NC[C@H]1CCCO1
InChIInChI=1S/C23H31N3O5S/c27-22(24-14-18-8-7-13-31-18)17-32(29,30)21-15-26(20-10-4-3-9-19(20)21)16-23(28)25-11-5-1-2-6-12-25/h3-4,9-10,15,18H,1-2,5-8,11-14,16-17H2,(H,24,27)/t18-/m1/s1
InChIKeyNVVPIIRCCOFJOH-GOSISDBHSA-N
MW461.58 g/mol
LogP2.11
Rot. Bonds7

About 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 40940130) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID40940130
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)NC[C@H]1CCCO1
InChIInChI=1S/C23H31N3O5S/c27-22(24-14-18-8-7-13-31-18)17-32(29,30)21-15-26(20-10-4-3-9-19(20)21)16-23(28)25-11-5-1-2-6-12-25/h3-4,9-10,15,18H,1-2,5-8,11-14,16-17H2,(H,24,27)/t18-/m1/s1
InChIKeyNVVPIIRCCOFJOH-GOSISDBHSA-N
XLogP2.11
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563513
N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563448
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18564611
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]-1-piperidin-1-ylethanone
CID 18563468
1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]ethanone
CID 18563563
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18563610
2-oxo-N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 16808099
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26745583
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16935785
N-(2-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563411
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 43958313
N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]acetamide
CID 97465954

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 40940130) is 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCCC2)c2ccccc12)NC[C@H]1CCCO1.
What is the InChIKey of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is NVVPIIRCCOFJOH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31N3O5S/c27-22(24-14-18-8-7-13-31-18)17-32(29,30)21-15-26(20-10-4-3-9-19(20)21)16-23(28)25-11-5-1-2-6-12-25/h3-4,9-10,15,18H,1-2,5-8,11-14,16-17H2,(H,24,27)/t18-/m1/s1.
What are the key properties of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 461.58 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 40940130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).