2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide

C17H21N3O3S — CID 38163987

IUPAC2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)/N=c1\sccn1C
InChIInChI=1S/C17H21N3O3S/c1-3-23-14-8-5-4-7-13(14)16(22)18-10-6-9-15(21)19-17-20(2)11-12-24-17/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,18,22)/b19-17-
InChIKeyMNJHIDMXNOUZOJ-ZPHPHTNESA-N
MW347.44 g/mol
LogP2.12
Rot. Bonds7

About 2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide

2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide (PubChem CID 38163987) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide
PubChem CID38163987
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)/N=c1\sccn1C
InChIInChI=1S/C17H21N3O3S/c1-3-23-14-8-5-4-7-13(14)16(22)18-10-6-9-15(21)19-17-20(2)11-12-24-17/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,18,22)/b19-17-
InChIKeyMNJHIDMXNOUZOJ-ZPHPHTNESA-N
XLogP2.12
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
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2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
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CID 47074532
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CID 103709030
2-ethoxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)benzamide
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2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
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2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 36841911

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide (CID 38163987) is 2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)/N=c1\sccn1C.
What is the InChIKey of 2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide?
The InChIKey is MNJHIDMXNOUZOJ-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-23-14-8-5-4-7-13(14)16(22)18-10-6-9-15(21)19-17-20(2)11-12-24-17/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,18,22)/b19-17-.
What are the key properties of 2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide?
2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[(3-methyl-1,3-thiazol-2-ylidene)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 38163987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).