N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide

C16H20N4O5S — CID 27396707

IUPACN-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1
InChIInChI=1S/C16H20N4O5S/c1-11(21)17-12-3-5-13(6-4-12)26(24,25)20-9-7-16(8-10-20)14(22)19(2)15(23)18-16/h3-6H,7-10H2,1-2H3,(H,17,21)(H,18,23)
InChIKeyHBCGNSZHKRSCRH-UHFFFAOYSA-N
MW380.43 g/mol
LogP0.35
Rot. Bonds3

About N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide

N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide (PubChem CID 27396707) has the molecular formula C16H20N4O5S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide
PubChem CID27396707
Molecular FormulaC16H20N4O5S
Molecular Weight380.43 g/mol
Exact Mass380.12
IUPAC NameN-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1
InChIInChI=1S/C16H20N4O5S/c1-11(21)17-12-3-5-13(6-4-12)26(24,25)20-9-7-16(8-10-20)14(22)19(2)15(23)18-16/h3-6H,7-10H2,1-2H3,(H,17,21)(H,18,23)
InChIKeyHBCGNSZHKRSCRH-UHFFFAOYSA-N
XLogP0.35
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
8-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16826034
8-(3-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16896776
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4034173
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
CID 3573154
N-[4-(3-methyl-4-oxoimidazolidin-1-yl)sulfonylphenyl]acetamide
CID 75401190
3-methyl-8-(5-methylthiophen-2-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110713834
N-[4-[[5-[(4-fluorophenyl)methylamino]-1,4,9-triazaspiro[5.5]undec-4-en-9-yl]sulfonyl]phenyl]acetamide;hydrochloride
CID 146063082
N-[4-[(3R)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]sulfonylphenyl]acetamide
CID 95104191
N-[4-[4-(3-oxospiro[1,2-dihydroisoquinoline-4,4'-piperidine]-1'-yl)sulfonylphenyl]phenyl]acetamide
CID 167860162

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide (CID 27396707) is N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1.
What is the InChIKey of N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide?
The InChIKey is HBCGNSZHKRSCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S/c1-11(21)17-12-3-5-13(6-4-12)26(24,25)20-9-7-16(8-10-20)14(22)19(2)15(23)18-16/h3-6H,7-10H2,1-2H3,(H,17,21)(H,18,23).
What are the key properties of N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide?
N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide has a molecular weight of 380.43 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide is sourced from PubChem (CID 27396707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).