N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide

C19H21N3O2S — CID 118739321

IUPACN-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC(=O)N(c4ccsc4)C3)C2)c1
InChIInChI=1S/C19H21N3O2S/c1-14-3-2-4-15(9-14)20-18(24)21-7-6-19(12-21)10-17(23)22(13-19)16-5-8-25-11-16/h2-5,8-9,11H,6-7,10,12-13H2,1H3,(H,20,24)
InChIKeyMAPDLFIQJAUOMM-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.72
Rot. Bonds2

About N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide

N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 118739321) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID118739321
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC(=O)N(c4ccsc4)C3)C2)c1
InChIInChI=1S/C19H21N3O2S/c1-14-3-2-4-15(9-14)20-18(24)21-7-6-19(12-21)10-17(23)22(13-19)16-5-8-25-11-16/h2-5,8-9,11H,6-7,10,12-13H2,1H3,(H,20,24)
InChIKeyMAPDLFIQJAUOMM-UHFFFAOYSA-N
XLogP3.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-Methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 25263992
N-ethyl-2-{1-(4-methylphenyl)-3-[2-(3-methyl-2-thienyl)ethyl]-2,5-dioxo-4-imidazolidinyl}acetamide
CID 2962761
1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 2998754
Pyrrolidine-1,2-dicarboxylic acid 2-[(thiophen-2-ylmethyl)-amide] 1-p-tolylamide
CID 3219699
Pyrrolidine-1,2-dicarboxylic acid 2-[(thiophen-2-ylmethyl)-amide] 1-m-tolylamide
CID 3230197
2-(3-Fluorophenyl)-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739246
N-[[5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophen-2-yl]methyl]acetamide
CID 10291973
(3R)-3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
CID 89183094
(3S)-3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
CID 89183174
Pyrrolidine-1,2-dicarboxylic acid 2-[(thiophen-2-ylmethyl)-amide] 1-o-tolylamide
CID 3230182
N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide
CID 42959536
1-Methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
CID 71868574

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide (CID 118739321) is N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide is Cc1cccc(NC(=O)N2CCC3(CC(=O)N(c4ccsc4)C3)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is MAPDLFIQJAUOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-3-2-4-15(9-14)20-18(24)21-7-6-19(12-21)10-17(23)22(13-19)16-5-8-25-11-16/h2-5,8-9,11H,6-7,10,12-13H2,1H3,(H,20,24).
What are the key properties of N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide?
N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 118739321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).