N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide

C21H25N3O7S2 — CID 74531837

IUPACN-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(S(=O)(=O)C2CNC(SCC(=O)Nc3ccc(OC)cc3OC)NC2=O)cc1
InChIInChI=1S/C21H25N3O7S2/c1-29-13-4-7-15(8-5-13)33(27,28)18-11-22-21(24-20(18)26)32-12-19(25)23-16-9-6-14(30-2)10-17(16)31-3/h4-10,18,21-22H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGVAZCZKYXAXGFH-UHFFFAOYSA-N
MW495.58 g/mol
LogP1.23
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide

N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide (PubChem CID 74531837) has the molecular formula C21H25N3O7S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
PubChem CID74531837
Molecular FormulaC21H25N3O7S2
Molecular Weight495.58 g/mol
Exact Mass495.11
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(S(=O)(=O)C2CNC(SCC(=O)Nc3ccc(OC)cc3OC)NC2=O)cc1
InChIInChI=1S/C21H25N3O7S2/c1-29-13-4-7-15(8-5-13)33(27,28)18-11-22-21(24-20(18)26)32-12-19(25)23-16-9-6-14(30-2)10-17(16)31-3/h4-10,18,21-22H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGVAZCZKYXAXGFH-UHFFFAOYSA-N
XLogP1.23
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]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-(2,4-dimethoxyphenyl)-2-[[5-(4-methylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 73452725
N-(2-chloro-4-methylphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 74532715
2-[[5-(4-butylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 75551137
N-(3-acetylphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 74527143
2-[[5-(4-butylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 75551124
2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
CID 73453126
N-benzyl-2-[[5-(4-ethoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 74536715
N-(2,4-dimethoxyphenyl)-2-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]acetamide
CID 42234682
2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide
CID 85465202
N-(2,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969570
N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide
CID 78305586
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide (CID 74531837) is N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide is COc1ccc(S(=O)(=O)C2CNC(SCC(=O)Nc3ccc(OC)cc3OC)NC2=O)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The InChIKey is GVAZCZKYXAXGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O7S2/c1-29-13-4-7-15(8-5-13)33(27,28)18-11-22-21(24-20(18)26)32-12-19(25)23-16-9-6-14(30-2)10-17(16)31-3/h4-10,18,21-22H,11-12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide has a molecular weight of 495.58 g/mol, XLogP of 1.23, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 74531837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).