N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C30H32N4O4S — CID 3505724

IUPACN-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)CSc4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C30H32N4O4S/c1-38-25-14-12-23(13-15-25)31-27(35)20-33-22-34(24-8-4-2-5-9-24)30(29(33)37)16-18-32(19-17-30)28(36)21-39-26-10-6-3-7-11-26/h2-15H,16-22H2,1H3,(H,31,35)
InChIKeyXYBZHAYPEWCKMS-UHFFFAOYSA-N
MW544.68 g/mol
LogP4.09
Rot. Bonds8

About N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 3505724) has the molecular formula C30H32N4O4S and a molecular weight of 544.68 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID3505724
Molecular FormulaC30H32N4O4S
Molecular Weight544.68 g/mol
Exact Mass544.21
IUPAC NameN-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)CSc4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C30H32N4O4S/c1-38-25-14-12-23(13-15-25)31-27(35)20-33-22-34(24-8-4-2-5-9-24)30(29(33)37)16-18-32(19-17-30)28(36)21-39-26-10-6-3-7-11-26/h2-15H,16-22H2,1H3,(H,31,35)
InChIKeyXYBZHAYPEWCKMS-UHFFFAOYSA-N
XLogP4.09
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.68
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-3-[2-(4-methoxyanilino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3290735
N-[2-(2-methoxyphenyl)ethyl]-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 3637217
2-[8-(3-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(4-methoxyphenyl)acetamide
CID 5067912
N-(4-methoxyphenyl)-4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3522831
2-[8-(4-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(4-methoxyphenyl)acetamide
CID 4186601
2-[8-(2,2-diphenylacetyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide
CID 4034370
N-(4-fluorophenyl)-2-(8-octanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
CID 4266289
2-[8-(3,5-dimethoxybenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methylphenyl)acetamide
CID 4302813
2-[8-(2-chlorobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide
CID 3423981
2-[8-(3-cyclopentylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-phenylacetamide
CID 4517535
N-(3,5-dimethoxyphenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3993791
2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(3-methoxyphenyl)acetamide
CID 5032326

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 3505724) is N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is COc1ccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)CSc4ccccc4)CC3)C2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is XYBZHAYPEWCKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4S/c1-38-25-14-12-23(13-15-25)31-27(35)20-33-22-34(24-8-4-2-5-9-24)30(29(33)37)16-18-32(19-17-30)28(36)21-39-26-10-6-3-7-11-26/h2-15H,16-22H2,1H3,(H,31,35).
What are the key properties of N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 544.68 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(2-phenylsulfanylacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 3505724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).