2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide

C17H24N4O5S — CID 85465202

IUPAC2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CC(=O)NC(SCC(=O)Nc2cc(OC)ccc2OC)N1
InChIInChI=1S/C17H24N4O5S/c1-18-14(22)6-10-7-15(23)21-17(19-10)27-9-16(24)20-12-8-11(25-2)4-5-13(12)26-3/h4-5,8,10,17,19H,6-7,9H2,1-3H3,(H,18,22)(H,20,24)(H,21,23)
InChIKeyGXJKFNSHKDRCEN-UHFFFAOYSA-N
MW396.47 g/mol
LogP0.27
Rot. Bonds8

About 2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide

2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide (PubChem CID 85465202) has the molecular formula C17H24N4O5S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide
PubChem CID85465202
Molecular FormulaC17H24N4O5S
Molecular Weight396.47 g/mol
Exact Mass396.15
IUPAC Name2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CC(=O)NC(SCC(=O)Nc2cc(OC)ccc2OC)N1
InChIInChI=1S/C17H24N4O5S/c1-18-14(22)6-10-7-15(23)21-17(19-10)27-9-16(24)20-12-8-11(25-2)4-5-13(12)26-3/h4-5,8,10,17,19H,6-7,9H2,1-3H3,(H,18,22)(H,20,24)(H,21,23)
InChIKeyGXJKFNSHKDRCEN-UHFFFAOYSA-N
XLogP0.27
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide 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

2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2,5-dimethoxyphenyl)-2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]acetamide
CID 42234687
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119674276
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
2-[[5-(4-butylphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 75551137
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108941097
N-(2,5-dimethoxyphenyl)-2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 2140715
N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
CID 78365672
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 11930996
N-(2,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)sulfonyl-4-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 74531837

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide?
The IUPAC name of 2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide (CID 85465202) is 2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide is CNC(=O)CC1CC(=O)NC(SCC(=O)Nc2cc(OC)ccc2OC)N1.
What is the InChIKey of 2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide?
The InChIKey is GXJKFNSHKDRCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S/c1-18-14(22)6-10-7-15(23)21-17(19-10)27-9-16(24)20-12-8-11(25-2)4-5-13(12)26-3/h4-5,8,10,17,19H,6-7,9H2,1-3H3,(H,18,22)(H,20,24)(H,21,23).
What are the key properties of 2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide?
2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide has a molecular weight of 396.47 g/mol, XLogP of 0.27, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-methylacetamide is sourced from PubChem (CID 85465202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).