N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C23H27N3O2S — CID 34972413

IUPACN-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCc1ccc([C@@H](CNC(=O)c2cccc(OCc3cscn3)c2)N(C)C)cc1
InChIInChI=1S/C23H27N3O2S/c1-4-17-8-10-18(11-9-17)22(26(2)3)13-24-23(27)19-6-5-7-21(12-19)28-14-20-15-29-16-25-20/h5-12,15-16,22H,4,13-14H2,1-3H3,(H,24,27)/t22-/m1/s1
InChIKeyJEWGQECZGRXFMR-JOCHJYFZSA-N
MW409.56 g/mol
LogP4.32
Rot. Bonds9

About N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 34972413) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID34972413
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCc1ccc([C@@H](CNC(=O)c2cccc(OCc3cscn3)c2)N(C)C)cc1
InChIInChI=1S/C23H27N3O2S/c1-4-17-8-10-18(11-9-17)22(26(2)3)13-24-23(27)19-6-5-7-21(12-19)28-14-20-15-29-16-25-20/h5-12,15-16,22H,4,13-14H2,1-3H3,(H,24,27)/t22-/m1/s1
InChIKeyJEWGQECZGRXFMR-JOCHJYFZSA-N
XLogP4.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)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

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide
CID 112506532
N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 43067592
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55583482
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46438111
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967198
5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
CID 46578078
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide
CID 43045032
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86853124
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46649516
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 95044301
N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 95770520
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24647039

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 34972413) is N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is CCc1ccc([C@@H](CNC(=O)c2cccc(OCc3cscn3)c2)N(C)C)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is JEWGQECZGRXFMR-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-4-17-8-10-18(11-9-17)22(26(2)3)13-24-23(27)19-6-5-7-21(12-19)28-14-20-15-29-16-25-20/h5-12,15-16,22H,4,13-14H2,1-3H3,(H,24,27)/t22-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 409.56 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 34972413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).