2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide

C19H26N4O3S — CID 51237499

IUPAC2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C19H26N4O3S/c1-4-26-15-9-6-5-8-14(15)18(25)20-11-7-10-16(24)21-19-23-22-17(27-19)12-13(2)3/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H,20,25)(H,21,23,24)
InChIKeyVFFMUUNJSDMGNW-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.28
Rot. Bonds10

About 2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide

2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide (PubChem CID 51237499) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide
PubChem CID51237499
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C19H26N4O3S/c1-4-26-15-9-6-5-8-14(15)18(25)20-11-7-10-16(24)21-19-23-22-17(27-19)12-13(2)3/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H,20,25)(H,21,23,24)
InChIKeyVFFMUUNJSDMGNW-UHFFFAOYSA-N
XLogP3.28
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
CID 17193357
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CID 8565305
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(2-nitrophenoxy)butanamide
CID 84561201
N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 32867568
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16548028
N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 51237492
2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
CID 52559669
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
CID 9091546
N-[4-[3-(2,2-dimethylpropanoylamino)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55532439
N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 9078863

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide (CID 51237499) is 2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)Nc1nnc(CC(C)C)s1.
What is the InChIKey of 2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide?
The InChIKey is VFFMUUNJSDMGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-26-15-9-6-5-8-14(15)18(25)20-11-7-10-16(24)21-19-23-22-17(27-19)12-13(2)3/h5-6,8-9,13H,4,7,10-12H2,1-3H3,(H,20,25)(H,21,23,24).
What are the key properties of 2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide?
2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 51237499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).