N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide

C25H30N2O3S — CID 91919875

IUPACN-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
SMILESO=C(Cc1ccsc1)N1CCC2(CC1)CC(N(C(=O)c1ccccc1)C1CC1)CCO2
InChIInChI=1S/C25H30N2O3S/c28-23(16-19-9-15-31-18-19)26-12-10-25(11-13-26)17-22(8-14-30-25)27(21-6-7-21)24(29)20-4-2-1-3-5-20/h1-5,9,15,18,21-22H,6-8,10-14,16-17H2
InChIKeyQUXYZOJPAGVABQ-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.14
Rot. Bonds5

About N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide

N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide (PubChem CID 91919875) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
PubChem CID91919875
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC NameN-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide
SMILESO=C(Cc1ccsc1)N1CCC2(CC1)CC(N(C(=O)c1ccccc1)C1CC1)CCO2
InChIInChI=1S/C25H30N2O3S/c28-23(16-19-9-15-31-18-19)26-12-10-25(11-13-26)17-22(8-14-30-25)27(21-6-7-21)24(29)20-4-2-1-3-5-20/h1-5,9,15,18,21-22H,6-8,10-14,16-17H2
InChIKeyQUXYZOJPAGVABQ-UHFFFAOYSA-N
XLogP4.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97487838
1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97419217
N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 134075807
1-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 155849075
methyl (2S)-6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 129470889
methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 121021108
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone
CID 91907726
1-pyrrolidin-1-yl-2-[9-(thiophen-3-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethanone
CID 91919407
N-cyclopropyl-N-[9-[2-(3-methylphenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 91919914
2-phenyl-1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462353
1-[4-(dimethylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-fluorophenyl)ethanone;2,2,2-trifluoroacetic acid
CID 155865264
1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone
CID 97491859

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide (CID 91919875) is N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide is O=C(Cc1ccsc1)N1CCC2(CC1)CC(N(C(=O)c1ccccc1)C1CC1)CCO2.
What is the InChIKey of N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide?
The InChIKey is QUXYZOJPAGVABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c28-23(16-19-9-15-31-18-19)26-12-10-25(11-13-26)17-22(8-14-30-25)27(21-6-7-21)24(29)20-4-2-1-3-5-20/h1-5,9,15,18,21-22H,6-8,10-14,16-17H2.
What are the key properties of N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide?
N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide has a molecular weight of 438.59 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[9-(2-thiophen-3-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzamide is sourced from PubChem (CID 91919875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).