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

C24H26N4O2S — CID 44591930

IUPACN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C24H26N4O2S/c29-22(21-16-18-6-4-5-9-20(18)31-21)25-12-15-27-13-10-24(11-14-27)23(30)26-17-28(24)19-7-2-1-3-8-19/h1-9,16H,10-15,17H2,(H,25,29)(H,26,30)
InChIKeyWFSVIFFWDRTKKQ-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.06
Rot. Bonds5

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

N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 44591930) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID44591930
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C24H26N4O2S/c29-22(21-16-18-6-4-5-9-20(18)31-21)25-12-15-27-13-10-24(11-14-27)23(30)26-17-28(24)19-7-2-1-3-8-19/h1-9,16H,10-15,17H2,(H,25,29)(H,26,30)
InChIKeyWFSVIFFWDRTKKQ-UHFFFAOYSA-N
XLogP3.06
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(Hexahydro-2-oxo-1H-azepin-3-yl)amino]carbonyl]phenyl]benzo[b]thiophene-2-carboxamide
CID 2799722
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CID 25105692
N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 70694802
3-chloro-N-({4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)-1-benzothiophene-2-carboxamide
CID 1619825
N-(2-aminophenyl)-6-[2-(benzylamino)-1-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 11960484
1-Ethyl-3-[3-[4-(3-ethyl-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea
CID 59373318
1-Ethyl-3-[3-[4-(3-ethyl-1-methyl-2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea
CID 59373599
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[(2,6-difluorophenyl)carbamoylamino]-1-benzothiophene-2-carboxamide
CID 9935423
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(benzo(b)thien-3-ylmethyl)-3-methyl-1-phenyl-
CID 380039
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(2-(benzo(b)thien-3-yl)ethyl)-3-methyl-1-phenyl-
CID 380044
8-(4-Oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one
CID 98812
Gsk1702934A
CID 16376051

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]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 44591930) is N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-1-benzothiophene-2-carboxamide is O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is WFSVIFFWDRTKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c29-22(21-16-18-6-4-5-9-20(18)31-21)25-12-15-27-13-10-24(11-14-27)23(30)26-17-28(24)19-7-2-1-3-8-19/h1-9,16H,10-15,17H2,(H,25,29)(H,26,30).
What are the key properties of N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-1-benzothiophene-2-carboxamide?
N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 3.06, 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]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 44591930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).