N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide

C30H31N3O3S — CID 23907779

IUPACN-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide
SMILESCOc1ccc(-c2csc(N(CCOc3ccccc3)Cc3ccc(C(=O)NCC4CC4)cc3)n2)cc1
InChIInChI=1S/C30H31N3O3S/c1-35-26-15-13-24(14-16-26)28-21-37-30(32-28)33(17-18-36-27-5-3-2-4-6-27)20-23-9-11-25(12-10-23)29(34)31-19-22-7-8-22/h2-6,9-16,21-22H,7-8,17-20H2,1H3,(H,31,34)
InChIKeyLYXRHIPZPFAALZ-UHFFFAOYSA-N
MW513.66 g/mol
LogP6.04
Rot. Bonds12

About N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide

N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide (PubChem CID 23907779) has the molecular formula C30H31N3O3S and a molecular weight of 513.66 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide
PubChem CID23907779
Molecular FormulaC30H31N3O3S
Molecular Weight513.66 g/mol
Exact Mass513.21
IUPAC NameN-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide
SMILESCOc1ccc(-c2csc(N(CCOc3ccccc3)Cc3ccc(C(=O)NCC4CC4)cc3)n2)cc1
InChIInChI=1S/C30H31N3O3S/c1-35-26-15-13-24(14-16-26)28-21-37-30(32-28)33(17-18-36-27-5-3-2-4-6-27)20-23-9-11-25(12-10-23)29(34)31-19-22-7-8-22/h2-6,9-16,21-22H,7-8,17-20H2,1H3,(H,31,34)
InChIKeyLYXRHIPZPFAALZ-UHFFFAOYSA-N
XLogP6.04
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.66
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide 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

4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]-N-(2-methylpropyl)benzamide
CID 23798248
N-(2-methoxyethyl)-4-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide
CID 58675065
N-(3-aminopropyl)-4-[[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide
CID 11692060
2-[[4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenylethyl)amino]methyl]benzoyl]amino]propanoic acid
CID 23850668
2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-propylamino]methyl]benzoyl]amino]acetic acid
CID 58675101
3-[[4-[[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-propylamino]methyl]benzoyl]amino]propanoic acid
CID 58675021
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662
3-[[4-[[butyl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoyl]amino]propanoic acid
CID 11648433
3-[[4-[[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-[2-(4-methoxyphenyl)ethyl]amino]methyl]benzoyl]amino]propanoic acid
CID 20775951
2-[[4-[[benzyl-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoyl]amino]acetic acid
CID 23939520
2-[[4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(2-phenylethyl)amino]methyl]benzoyl]amino]acetic acid
CID 23852033
N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide
CID 58923644

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide (CID 23907779) is N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide is COc1ccc(-c2csc(N(CCOc3ccccc3)Cc3ccc(C(=O)NCC4CC4)cc3)n2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide?
The InChIKey is LYXRHIPZPFAALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3S/c1-35-26-15-13-24(14-16-26)28-21-37-30(32-28)33(17-18-36-27-5-3-2-4-6-27)20-23-9-11-25(12-10-23)29(34)31-19-22-7-8-22/h2-6,9-16,21-22H,7-8,17-20H2,1H3,(H,31,34).
What are the key properties of N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide?
N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide has a molecular weight of 513.66 g/mol, XLogP of 6.04, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenoxyethyl)amino]methyl]benzamide is sourced from PubChem (CID 23907779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).