1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide

C20H27N3O2S — CID 131658003

IUPAC1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide
SMILESCc1ccsc1CN1CC2(CCC(CNC(=O)c3cccn3C)CO2)C1
InChIInChI=1S/C20H27N3O2S/c1-15-6-9-26-18(15)11-23-13-20(14-23)7-5-16(12-25-20)10-21-19(24)17-4-3-8-22(17)2/h3-4,6,8-9,16H,5,7,10-14H2,1-2H3,(H,21,24)
InChIKeyGJTYSNZRHIIJMH-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.81
Rot. Bonds5

About 1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide

1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide (PubChem CID 131658003) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide
PubChem CID131658003
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide
SMILESCc1ccsc1CN1CC2(CCC(CNC(=O)c3cccn3C)CO2)C1
InChIInChI=1S/C20H27N3O2S/c1-15-6-9-26-18(15)11-23-13-20(14-23)7-5-16(12-25-20)10-21-19(24)17-4-3-8-22(17)2/h3-4,6,8-9,16H,5,7,10-14H2,1-2H3,(H,21,24)
InChIKeyGJTYSNZRHIIJMH-UHFFFAOYSA-N
XLogP2.81
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide
CID 124822074
N-[[2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155836183
N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816744
N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 133141374
2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 45181727
2-methyl-N-[2-[(8S)-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrazole-3-carboxamide
CID 124812732
1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide
CID 131640403
1-methyl-N-[2-[(8R)-2-(thiophen-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide
CID 124818462
N-[[(5S,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816768
N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97476595
1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide
CID 131644453
1-methyl-N-[2-[(8R)-2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrole-2-carboxamide
CID 124822043

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide (CID 131658003) is 1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide is Cc1ccsc1CN1CC2(CCC(CNC(=O)c3cccn3C)CO2)C1.
What is the InChIKey of 1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide?
The InChIKey is GJTYSNZRHIIJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15-6-9-26-18(15)11-23-13-20(14-23)7-5-16(12-25-20)10-21-19(24)17-4-3-8-22(17)2/h3-4,6,8-9,16H,5,7,10-14H2,1-2H3,(H,21,24).
What are the key properties of 1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide?
1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 131658003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).