N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide

C23H21Cl4N3OS — CID 46246989

IUPACN-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide
SMILESCC1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)c(Cl)c1)C(c1ccc(Cl)c(Cl)c1)=N2
InChIInChI=1S/C23H21Cl4N3OS/c1-13-6-8-23(9-7-13)29-21(14-2-4-16(24)18(26)10-14)22(30-23)32-12-20(31)28-15-3-5-17(25)19(27)11-15/h2-5,10-11,13H,6-9,12H2,1H3,(H,28,31)
InChIKeyKVWCLRSFMYPYAT-UHFFFAOYSA-N
MW529.32 g/mol
LogP7.78
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide

N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide (PubChem CID 46246989) has the molecular formula C23H21Cl4N3OS and a molecular weight of 529.32 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide
PubChem CID46246989
Molecular FormulaC23H21Cl4N3OS
Molecular Weight529.32 g/mol
Exact Mass527.02
IUPAC NameN-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide
SMILESCC1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)c(Cl)c1)C(c1ccc(Cl)c(Cl)c1)=N2
InChIInChI=1S/C23H21Cl4N3OS/c1-13-6-8-23(9-7-13)29-21(14-2-4-16(24)18(26)10-14)22(30-23)32-12-20(31)28-15-3-5-17(25)19(27)11-15/h2-5,10-11,13H,6-9,12H2,1H3,(H,28,31)
InChIKeyKVWCLRSFMYPYAT-UHFFFAOYSA-N
XLogP7.78
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.32
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide
CID 46246982
N-(3,4-dichlorophenyl)-2-[(8-methyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
CID 22428667
2-[[2-(4-bromophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 22428876
N-(3,4-dichlorophenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428871
2-[[2-(4-bromophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 46246985
2-[[2-(4-bromophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 22428848
N-(3,4-dichlorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide
CID 22428669
N-(3-chloro-4-fluorophenyl)-2-[[2-(4-chlorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428644
N-(3-chloro-4-fluorophenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428895
N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide
CID 22428668
N-(3-chloro-4-fluorophenyl)-2-[[2-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide
CID 50744657
2-[[2-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 50765824

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide (CID 46246989) is N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide is CC1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)c(Cl)c1)C(c1ccc(Cl)c(Cl)c1)=N2.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide?
The InChIKey is KVWCLRSFMYPYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl4N3OS/c1-13-6-8-23(9-7-13)29-21(14-2-4-16(24)18(26)10-14)22(30-23)32-12-20(31)28-15-3-5-17(25)19(27)11-15/h2-5,10-11,13H,6-9,12H2,1H3,(H,28,31).
What are the key properties of N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide?
N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide has a molecular weight of 529.32 g/mol, XLogP of 7.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[[2-(3,4-dichlorophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 46246989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).