2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C18H26N2O3S — CID 118739624

IUPAC2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccsc1C(=O)N1CC(C(=O)NC(C)C)C2(CCOCC2)C1
InChIInChI=1S/C18H26N2O3S/c1-12(2)19-16(21)14-10-20(11-18(14)5-7-23-8-6-18)17(22)15-13(3)4-9-24-15/h4,9,12,14H,5-8,10-11H2,1-3H3,(H,19,21)
InChIKeyGRCFCQIIJNDLHX-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.45
Rot. Bonds3

About 2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118739624) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118739624
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccsc1C(=O)N1CC(C(=O)NC(C)C)C2(CCOCC2)C1
InChIInChI=1S/C18H26N2O3S/c1-12(2)19-16(21)14-10-20(11-18(14)5-7-23-8-6-18)17(22)15-13(3)4-9-24-15/h4,9,12,14H,5-8,10-11H2,1-3H3,(H,19,21)
InChIKeyGRCFCQIIJNDLHX-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]thiophene-2-carboxamide
CID 3739463
1'-[(3-methyl-2-thienyl)carbonyl]-N-(tetrahydrofuran-2-ylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 16188207
3-methyl-1-(3-methylthiophene-2-carbonyl)-N-propylpyrrolidine-3-carboxamide
CID 49795206
3-Methyl-N-[(4-methyloxan-4-YL)methyl]thiophene-2-carboxamide
CID 110875686
Pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
CID 118739448
N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739451
N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739454
[2-(3-Methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 118739618
2-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739748
N-(cyclopropylmethyl)-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739751
N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739809
[2-(3-Methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739810

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118739624) is 2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccsc1C(=O)N1CC(C(=O)NC(C)C)C2(CCOCC2)C1.
What is the InChIKey of 2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is GRCFCQIIJNDLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-12(2)19-16(21)14-10-20(11-18(14)5-7-23-8-6-18)17(22)15-13(3)4-9-24-15/h4,9,12,14H,5-8,10-11H2,1-3H3,(H,19,21).
What are the key properties of 2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118739624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).