N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide

C20H24N4O2S — CID 21428867

IUPACN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cccs1
InChIInChI=1S/C20H24N4O2S/c25-18(17-7-4-14-27-17)21-10-13-23-11-8-20(9-12-23)19(26)22-15-24(20)16-5-2-1-3-6-16/h1-7,14H,8-13,15H2,(H,21,25)(H,22,26)
InChIKeyHCLIYNUCCIVKOS-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.91
Rot. Bonds5

About N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide

N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide (PubChem CID 21428867) has the molecular formula C20H24N4O2S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide
PubChem CID21428867
Molecular FormulaC20H24N4O2S
Molecular Weight384.50 g/mol
Exact Mass384.16
IUPAC NameN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cccs1
InChIInChI=1S/C20H24N4O2S/c25-18(17-7-4-14-27-17)21-10-13-23-11-8-20(9-12-23)19(26)22-15-24(20)16-5-2-1-3-6-16/h1-7,14H,8-13,15H2,(H,21,25)(H,22,26)
InChIKeyHCLIYNUCCIVKOS-UHFFFAOYSA-N
XLogP1.91
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428990
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]quinoxaline-2-carboxamide
CID 44591933
3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428878
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 53470020
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-2,5-bis(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 56588029
4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428983
8-(3-chloropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21453222
N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 2952427
N-[3-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propyl]quinoline-3-carboxamide
CID 53470218
4-amino-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-3-(trifluoromethoxy)benzamide;2,2,2-trifluoroacetic acid
CID 53470030
methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid
CID 159087750
2,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 56593077

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide (CID 21428867) is N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide is O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cccs1.
What is the InChIKey of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is HCLIYNUCCIVKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-18(17-7-4-14-27-17)21-10-13-23-11-8-20(9-12-23)19(26)22-15-24(20)16-5-2-1-3-6-16/h1-7,14H,8-13,15H2,(H,21,25)(H,22,26).
What are the key properties of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide?
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 21428867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).