4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide

C16H20N4O3S — CID 34110789

IUPAC4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
SMILESCCCc1nnc(NC(=O)CNC(=O)c2ccc(OCC)cc2)s1
InChIInChI=1S/C16H20N4O3S/c1-3-5-14-19-20-16(24-14)18-13(21)10-17-15(22)11-6-8-12(9-7-11)23-4-2/h6-9H,3-5,10H2,1-2H3,(H,17,22)(H,18,20,21)
InChIKeyCTDYJYLEWGEDCX-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.26
Rot. Bonds8

About 4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide

4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide (PubChem CID 34110789) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
PubChem CID34110789
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
SMILESCCCc1nnc(NC(=O)CNC(=O)c2ccc(OCC)cc2)s1
InChIInChI=1S/C16H20N4O3S/c1-3-5-14-19-20-16(24-14)18-13(21)10-17-15(22)11-6-8-12(9-7-11)23-4-2/h6-9H,3-5,10H2,1-2H3,(H,17,22)(H,18,20,21)
InChIKeyCTDYJYLEWGEDCX-UHFFFAOYSA-N
XLogP2.26
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 55527934
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24648115
2-(4-ethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209657
4-oxo-4-(4-pentoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 30587851
4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109400
4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 51138217
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 30587937

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide (CID 34110789) is 4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide is CCCc1nnc(NC(=O)CNC(=O)c2ccc(OCC)cc2)s1.
What is the InChIKey of 4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide?
The InChIKey is CTDYJYLEWGEDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-3-5-14-19-20-16(24-14)18-13(21)10-17-15(22)11-6-8-12(9-7-11)23-4-2/h6-9H,3-5,10H2,1-2H3,(H,17,22)(H,18,20,21).
What are the key properties of 4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide?
4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide has a molecular weight of 348.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 34110789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).