N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C23H33N3O4S — CID 55785679

IUPACN-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCCCCCOc1ccc(C(C)NC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1OC
InChIInChI=1S/C23H33N3O4S/c1-6-7-8-11-30-19-10-9-17(12-20(19)29-5)16(4)24-21(27)13-18-14-31-23(25-18)26-22(28)15(2)3/h9-10,12,14-16H,6-8,11,13H2,1-5H3,(H,24,27)(H,25,26,28)
InChIKeyRXSRJVIENKDSAB-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.74
Rot. Bonds12

About N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 55785679) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID55785679
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC NameN-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCCCCCOc1ccc(C(C)NC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1OC
InChIInChI=1S/C23H33N3O4S/c1-6-7-8-11-30-19-10-9-17(12-20(19)29-5)16(4)24-21(27)13-18-14-31-23(25-18)26-22(28)15(2)3/h9-10,12,14-16H,6-8,11,13H2,1-5H3,(H,24,27)(H,25,26,28)
InChIKeyRXSRJVIENKDSAB-UHFFFAOYSA-N
XLogP4.74
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide 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

2-(aminomethyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119722954
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119722950
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119722949
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[4-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55789254
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46417790
N-[4-[2-(butylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18567989
2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 119736427
tert-butyl N-[3-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 55747253
N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55896960
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 51073344

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 55785679) is N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CCCCCOc1ccc(C(C)NC(=O)Cc2csc(NC(=O)C(C)C)n2)cc1OC.
What is the InChIKey of N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is RXSRJVIENKDSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-6-7-8-11-30-19-10-9-17(12-20(19)29-5)16(4)24-21(27)13-18-14-31-23(25-18)26-22(28)15(2)3/h9-10,12,14-16H,6-8,11,13H2,1-5H3,(H,24,27)(H,25,26,28).
What are the key properties of N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 447.60 g/mol, XLogP of 4.74, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55785679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).