2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide

C21H22N2O3S — CID 55434413

IUPAC2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1OC
InChIInChI=1S/C21H22N2O3S/c1-14-23-18(13-27-14)16-9-7-15(8-10-16)11-12-22-21(24)17-5-4-6-19(25-2)20(17)26-3/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyOFCASHVRZFIXRK-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.11
Rot. Bonds7

About 2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide

2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide (PubChem CID 55434413) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
PubChem CID55434413
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1OC
InChIInChI=1S/C21H22N2O3S/c1-14-23-18(13-27-14)16-9-7-15(8-10-16)11-12-22-21(24)17-5-4-6-19(25-2)20(17)26-3/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyOFCASHVRZFIXRK-UHFFFAOYSA-N
XLogP4.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]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

2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 35509323
2-methoxy-4-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568153
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 25401259
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-nitrobenzamide
CID 16960634
2-(3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568180
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347542
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid
CID 119255472
2,4-dichloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 108725447

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide (CID 55434413) is 2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide is COc1cccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The InChIKey is OFCASHVRZFIXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-23-18(13-27-14)16-9-7-15(8-10-16)11-12-22-21(24)17-5-4-6-19(25-2)20(17)26-3/h4-10,13H,11-12H2,1-3H3,(H,22,24).
What are the key properties of 2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide has a molecular weight of 382.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 55434413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).