N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

C22H24N4O4S — CID 55510760

IUPACN-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(NC(=O)c3cccs3)c1)C2=O
InChIInChI=1S/C22H24N4O4S/c1-14-7-9-22(10-8-14)20(29)26(21(30)25-22)13-18(27)23-15-4-2-5-16(12-15)24-19(28)17-6-3-11-31-17/h2-6,11-12,14H,7-10,13H2,1H3,(H,23,27)(H,24,28)(H,25,30)
InChIKeyXEZRHPOKZMZXPL-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.44
Rot. Bonds5

About N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 55510760) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID55510760
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(NC(=O)c3cccs3)c1)C2=O
InChIInChI=1S/C22H24N4O4S/c1-14-7-9-22(10-8-14)20(29)26(21(30)25-22)13-18(27)23-15-4-2-5-16(12-15)24-19(28)17-6-3-11-31-17/h2-6,11-12,14H,7-10,13H2,1H3,(H,23,27)(H,24,28)(H,25,30)
InChIKeyXEZRHPOKZMZXPL-UHFFFAOYSA-N
XLogP3.44
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4804356
N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3899374
N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903583
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143
methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170121
methyl 2-chloro-5-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate
CID 55556134
N-(3-cyanophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180941
N-(2-chlorophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3919530
N-[4-[(2R)-butan-2-yl]phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7240735
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2085218

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 55510760) is N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide is CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(NC(=O)c3cccs3)c1)C2=O.
What is the InChIKey of N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is XEZRHPOKZMZXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-14-7-9-22(10-8-14)20(29)26(21(30)25-22)13-18(27)23-15-4-2-5-16(12-15)24-19(28)17-6-3-11-31-17/h2-6,11-12,14H,7-10,13H2,1H3,(H,23,27)(H,24,28)(H,25,30).
What are the key properties of N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55510760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).