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

C16H23N5O4S — CID 78453327

IUPACN-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide
SMILESCOCCNC(=O)CSC1NC(=O)C(NC(=O)c2ccccc2)C(N)N1
InChIInChI=1S/C16H23N5O4S/c1-25-8-7-18-11(22)9-26-16-20-13(17)12(15(24)21-16)19-14(23)10-5-3-2-4-6-10/h2-6,12-13,16,20H,7-9,17H2,1H3,(H,18,22)(H,19,23)(H,21,24)
InChIKeyGEPAONAFLVSZKN-UHFFFAOYSA-N
MW381.46 g/mol
LogP-1.43
Rot. Bonds8

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

N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide (PubChem CID 78453327) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide.

Molecular Properties

Compound NameN-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide
PubChem CID78453327
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC NameN-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide
SMILESCOCCNC(=O)CSC1NC(=O)C(NC(=O)c2ccccc2)C(N)N1
InChIInChI=1S/C16H23N5O4S/c1-25-8-7-18-11(22)9-26-16-20-13(17)12(15(24)21-16)19-14(23)10-5-3-2-4-6-10/h2-6,12-13,16,20H,7-9,17H2,1H3,(H,18,22)(H,19,23)(H,21,24)
InChIKeyGEPAONAFLVSZKN-UHFFFAOYSA-N
XLogP-1.43
TPSA134.58 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 5-1.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[4-amino-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-fluorobenzamide
CID 73329636
N-[4-acetamido-2-[2-(N-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide
CID 73451072
N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218538
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]acetamide
CID 78311462
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide
CID 113405112
N-[[5-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205193
2-(2-methoxyethylamino)-N-(3-phenylcyclobutyl)acetamide
CID 119774808
[2-(cyclopropylamino)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 29174702

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide?
The IUPAC name of N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide (CID 78453327) is N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide.
What is the SMILES notation for N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide?
The canonical SMILES for N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide is COCCNC(=O)CSC1NC(=O)C(NC(=O)c2ccccc2)C(N)N1.
What is the InChIKey of N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide?
The InChIKey is GEPAONAFLVSZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-25-8-7-18-11(22)9-26-16-20-13(17)12(15(24)21-16)19-14(23)10-5-3-2-4-6-10/h2-6,12-13,16,20H,7-9,17H2,1H3,(H,18,22)(H,19,23)(H,21,24).
What are the key properties of N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide?
N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide has a molecular weight of 381.46 g/mol, XLogP of -1.43, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]benzamide is sourced from PubChem (CID 78453327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).