N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C19H25N3O3S — CID 133141374

IUPACN-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCc1ccsc1CN1CC2(C1)CN(C)C(C(=O)NCc1ccco1)CO2
InChIInChI=1S/C19H25N3O3S/c1-14-5-7-26-17(14)9-22-12-19(13-22)11-21(2)16(10-25-19)18(23)20-8-15-4-3-6-24-15/h3-7,16H,8-13H2,1-2H3,(H,20,23)
InChIKeyOWCJWSDBEQOYCS-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.85
Rot. Bonds5

About N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 133141374) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID133141374
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCc1ccsc1CN1CC2(C1)CN(C)C(C(=O)NCc1ccco1)CO2
InChIInChI=1S/C19H25N3O3S/c1-14-5-7-26-17(14)9-22-12-19(13-22)11-21(2)16(10-25-19)18(23)20-8-15-4-3-6-24-15/h3-7,16H,8-13H2,1-2H3,(H,20,23)
InChIKeyOWCJWSDBEQOYCS-UHFFFAOYSA-N
XLogP1.85
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3aS,4S,7aS)-N-(furan-2-ylmethyl)-6-[(3-methylthiophen-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 155875982
N-(furan-2-ylmethyl)-8-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155856119
1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide
CID 131658003
N-(furan-2-ylmethyl)-2-[(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124912511
4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956125
furan-2-yl-[1-methyl-4-[(3-methylthiophen-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone
CID 56745078
(1R,8R,9S)-11-(furan-2-ylmethyl)-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-8-carboxamide
CID 171908245
N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 55579042
N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820842
(3R)-N-(furan-2-ylmethyl)-8-(4-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137976
(2R)-N-(furan-2-ylmethyl)-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 95148543
(2S)-N,8-bis(furan-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97422219

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 133141374) is N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is Cc1ccsc1CN1CC2(C1)CN(C)C(C(=O)NCc1ccco1)CO2.
What is the InChIKey of N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is OWCJWSDBEQOYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-5-7-26-17(14)9-22-12-19(13-22)11-21(2)16(10-25-19)18(23)20-8-15-4-3-6-24-15/h3-7,16H,8-13H2,1-2H3,(H,20,23).
What are the key properties of N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-8-methyl-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 133141374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).