N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide

C19H23N3O3S — CID 32867568

IUPACN-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C19H23N3O3S/c1-2-25-16-7-4-3-6-14(16)18(24)20-11-5-8-17(23)22-19-21-15(12-26-19)13-9-10-13/h3-4,6-7,12-13H,2,5,8-11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyOUECXXITFFWLAG-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.57
Rot. Bonds9

About N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide

N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide (PubChem CID 32867568) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide
PubChem CID32867568
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C19H23N3O3S/c1-2-25-16-7-4-3-6-14(16)18(24)20-11-5-8-17(23)22-19-21-15(12-26-19)13-9-10-13/h3-4,6-7,12-13H,2,5,8-11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyOUECXXITFFWLAG-UHFFFAOYSA-N
XLogP3.57
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 32869761
2-ethoxy-N-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 51237499
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide
CID 81395596
2-[(2-ethoxybenzoyl)amino]-N-ethyl-1,3-thiazole-4-carboxamide
CID 16915665
2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
N-[4-[[cyclopropyl(phenyl)methyl]amino]-4-oxobutyl]-2-ethoxybenzamide
CID 51296073
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
N-[4-[(4-aminocyclohexyl)amino]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119476321
2-ethoxy-N-[4-oxo-4-(2,4,4-trimethylpentan-2-ylamino)butyl]benzamide
CID 52559669

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide?
The IUPAC name of N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide (CID 32867568) is N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCCC(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide?
The InChIKey is OUECXXITFFWLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-25-16-7-4-3-6-14(16)18(24)20-11-5-8-17(23)22-19-21-15(12-26-19)13-9-10-13/h3-4,6-7,12-13H,2,5,8-11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide?
N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide has a molecular weight of 373.48 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-2-ethoxybenzamide is sourced from PubChem (CID 32867568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).