(5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C18H23N3O4S — CID 97491420

IUPAC(5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1ccsc1C(=O)N1CC[C@@]2(CC(C(=O)NC[C@@H]3CCCO3)=NO2)C1
InChIInChI=1S/C18H23N3O4S/c1-12-4-8-26-15(12)17(23)21-6-5-18(11-21)9-14(20-25-18)16(22)19-10-13-3-2-7-24-13/h4,8,13H,2-3,5-7,9-11H2,1H3,(H,19,22)/t13-,18+/m0/s1
InChIKeyXEBIEVYEPZIQRE-SCLBCKFNSA-N
MW377.47 g/mol
LogP1.71
Rot. Bonds4

About (5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491420) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is (5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491420
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name(5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1ccsc1C(=O)N1CC[C@@]2(CC(C(=O)NC[C@@H]3CCCO3)=NO2)C1
InChIInChI=1S/C18H23N3O4S/c1-12-4-8-26-15(12)17(23)21-6-5-18(11-21)9-14(20-25-18)16(22)19-10-13-3-2-7-24-13/h4,8,13H,2-3,5-7,9-11H2,1H3,(H,19,22)/t13-,18+/m0/s1
InChIKeyXEBIEVYEPZIQRE-SCLBCKFNSA-N
XLogP1.71
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide with MolForge

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Related Compounds

(5R)-N-[[(2S)-oxolan-2-yl]methyl]-7-(1,3-thiazole-4-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491386
(5S)-9-(3-methylthiophene-2-carbonyl)-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97491073
3-N-(oxolan-2-ylmethyl)-7-N-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
CID 131645622
N-(oxolan-2-ylmethyl)-7-(thiophen-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131659642
(5S)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124804274
(5S)-7-[(6-methyl-2-pyridinyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 124793741
7-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134072440
7-(6-methoxypyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134079617
(5S)-N-[(5-methylpyrazin-2-yl)methyl]-7-(thiophene-2-carbonyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491684
7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
CID 131653882
(5S)-N-(cyclopropylmethyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491239
1-[(5S,9R)-2-(3-methylthiophene-2-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 124912452

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491420) is (5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1ccsc1C(=O)N1CC[C@@]2(CC(C(=O)NC[C@@H]3CCCO3)=NO2)C1.
What is the InChIKey of (5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is XEBIEVYEPZIQRE-SCLBCKFNSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12-4-8-26-15(12)17(23)21-6-5-18(11-21)9-14(20-25-18)16(22)19-10-13-3-2-7-24-13/h4,8,13H,2-3,5-7,9-11H2,1H3,(H,19,22)/t13-,18+/m0/s1.
What are the key properties of (5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(3-methylthiophene-2-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).