N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

C18H20N2O4S2 — CID 97255662

IUPACN-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESO=C(Nc1sccc1C(=O)N[C@H]1CCO[C@]2(CCOC2)C1)c1cccs1
InChIInChI=1S/C18H20N2O4S2/c21-15(19-12-3-6-24-18(10-12)5-7-23-11-18)13-4-9-26-17(13)20-16(22)14-2-1-8-25-14/h1-2,4,8-9,12H,3,5-7,10-11H2,(H,19,21)(H,20,22)/t12-,18+/m0/s1
InChIKeyCGLIPKOEIPHZCM-KPZWWZAWSA-N
MW392.50 g/mol
LogP3.13
Rot. Bonds4

About N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (PubChem CID 97255662) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
PubChem CID97255662
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC NameN-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESO=C(Nc1sccc1C(=O)N[C@H]1CCO[C@]2(CCOC2)C1)c1cccs1
InChIInChI=1S/C18H20N2O4S2/c21-15(19-12-3-6-24-18(10-12)5-7-23-11-18)13-4-9-26-17(13)20-16(22)14-2-1-8-25-14/h1-2,4,8-9,12H,3,5-7,10-11H2,(H,19,21)(H,20,22)/t12-,18+/m0/s1
InChIKeyCGLIPKOEIPHZCM-KPZWWZAWSA-N
XLogP3.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide with MolForge

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Related Compounds

2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide
CID 166196304
2-[2-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)phenyl]sulfanylpropanoic acid
CID 120695926
N-(thiophen-2-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897969
1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea
CID 124887284
2-chloro-N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-fluorobenzamide
CID 99970364
N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide
CID 124883194
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide
CID 99972757
5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120695909
1-(2,5-dimethylphenyl)-3-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]urea
CID 97255707
N-(thian-4-ylmethyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 75463880
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-thiophen-2-ylethanol
CID 79921737

Frequently Asked Questions

What is the IUPAC name of N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The IUPAC name of N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (CID 97255662) is N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.
What is the SMILES notation for N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The canonical SMILES for N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is O=C(Nc1sccc1C(=O)N[C@H]1CCO[C@]2(CCOC2)C1)c1cccs1.
What is the InChIKey of N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The InChIKey is CGLIPKOEIPHZCM-KPZWWZAWSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c21-15(19-12-3-6-24-18(10-12)5-7-23-11-18)13-4-9-26-17(13)20-16(22)14-2-1-8-25-14/h1-2,4,8-9,12H,3,5-7,10-11H2,(H,19,21)(H,20,22)/t12-,18+/m0/s1.
What are the key properties of N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is sourced from PubChem (CID 97255662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).