2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide

C15H18N4O4S2 — CID 7969426

IUPAC2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide
SMILESCOCCNc1nnc(SCC(=O)NC(=O)c2ccccc2OC)s1
InChIInChI=1S/C15H18N4O4S2/c1-22-8-7-16-14-18-19-15(25-14)24-9-12(20)17-13(21)10-5-3-4-6-11(10)23-2/h3-6H,7-9H2,1-2H3,(H,16,18)(H,17,20,21)
InChIKeyCOVIKJJEBYZNBD-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.65
Rot. Bonds9

About 2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide

2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide (PubChem CID 7969426) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide
PubChem CID7969426
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Name2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide
SMILESCOCCNc1nnc(SCC(=O)NC(=O)c2ccccc2OC)s1
InChIInChI=1S/C15H18N4O4S2/c1-22-8-7-16-14-18-19-15(25-14)24-9-12(20)17-13(21)10-5-3-4-6-11(10)23-2/h3-6H,7-9H2,1-2H3,(H,16,18)(H,17,20,21)
InChIKeyCOVIKJJEBYZNBD-UHFFFAOYSA-N
XLogP1.65
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
CID 8302771
N-[5-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 24762116
2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1500051
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide
CID 2630296
N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 8481799
N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 8481811
4-isopropoxy-N-(5-((2-morpholino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
CID 12006133
2-Methoxy-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017555
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-2-methoxybenzamide
CID 16017582
N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
CID 18561090
2-methoxy-N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}benzamide
CID 22517530

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide (CID 7969426) is 2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide is COCCNc1nnc(SCC(=O)NC(=O)c2ccccc2OC)s1.
What is the InChIKey of 2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide?
The InChIKey is COVIKJJEBYZNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-22-8-7-16-14-18-19-15(25-14)24-9-12(20)17-13(21)10-5-3-4-6-11(10)23-2/h3-6H,7-9H2,1-2H3,(H,16,18)(H,17,20,21).
What are the key properties of 2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide?
2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide has a molecular weight of 382.47 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide is sourced from PubChem (CID 7969426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).