N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide

C22H25N5O4S — CID 73451072

IUPACN-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide
SMILESCC(=O)NC1NC(SCC(=O)N(C)c2ccccc2)NC(=O)C1NC(=O)c1ccccc1
InChIInChI=1S/C22H25N5O4S/c1-14(28)23-19-18(24-20(30)15-9-5-3-6-10-15)21(31)26-22(25-19)32-13-17(29)27(2)16-11-7-4-8-12-16/h3-12,18-19,22,25H,13H2,1-2H3,(H,23,28)(H,24,30)(H,26,31)
InChIKeyUKGGAJZVTPKTPK-UHFFFAOYSA-N
MW455.54 g/mol
LogP0.65
Rot. Bonds7

About N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide

N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide (PubChem CID 73451072) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide.

Molecular Properties

Compound NameN-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide
PubChem CID73451072
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC NameN-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide
SMILESCC(=O)NC1NC(SCC(=O)N(C)c2ccccc2)NC(=O)C1NC(=O)c1ccccc1
InChIInChI=1S/C22H25N5O4S/c1-14(28)23-19-18(24-20(30)15-9-5-3-6-10-15)21(31)26-22(25-19)32-13-17(29)27(2)16-11-7-4-8-12-16/h3-12,18-19,22,25H,13H2,1-2H3,(H,23,28)(H,24,30)(H,26,31)
InChIKeyUKGGAJZVTPKTPK-UHFFFAOYSA-N
XLogP0.65
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide with MolForge

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Related Compounds

N-cyclopropyl-2-[2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetamide
CID 85465322
N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide
CID 78453327
N-[4-amino-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide
CID 73329567
methyl 2-[(4-amino-5-benzamido-6-oxo-1,3-diazinan-2-yl)sulfanyl]butanoate
CID 73329584
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
N-[4-amino-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-fluorobenzamide
CID 73329636
N-(4-amino-6-oxo-2-propylsulfanyl-1,3-diazinan-5-yl)-4-ethoxybenzamide
CID 78490248
6-hydroxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,3-diazinan-4-one
CID 78296067
N-[4-(N-methylanilino)-4-oxobutyl]benzamide
CID 15040615
2-(cyclopropylmethylamino)-N-methyl-N-phenylacetamide
CID 60842442
N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide
CID 84603233
N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
CID 753274

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide?
The IUPAC name of N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide (CID 73451072) is N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide.
What is the SMILES notation for N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide?
The canonical SMILES for N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide is CC(=O)NC1NC(SCC(=O)N(C)c2ccccc2)NC(=O)C1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide?
The InChIKey is UKGGAJZVTPKTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-14(28)23-19-18(24-20(30)15-9-5-3-6-10-15)21(31)26-22(25-19)32-13-17(29)27(2)16-11-7-4-8-12-16/h3-12,18-19,22,25H,13H2,1-2H3,(H,23,28)(H,24,30)(H,26,31).
What are the key properties of N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide?
N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide has a molecular weight of 455.54 g/mol, XLogP of 0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide is sourced from PubChem (CID 73451072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).