5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide

C16H18ClNO3S — CID 90598388

IUPAC5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(OC)c1ccc(C)s1
InChIInChI=1S/C16H18ClNO3S/c1-10-4-7-15(22-10)14(21-3)9-18-16(19)12-8-11(17)5-6-13(12)20-2/h4-8,14H,9H2,1-3H3,(H,18,19)
InChIKeyRZEQESFDUOKSIO-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.84
Rot. Bonds6

About 5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide

5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 90598388) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID90598388
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC(OC)c1ccc(C)s1
InChIInChI=1S/C16H18ClNO3S/c1-10-4-7-15(22-10)14(21-3)9-18-16(19)12-8-11(17)5-6-13(12)20-2/h4-8,14H,9H2,1-3H3,(H,18,19)
InChIKeyRZEQESFDUOKSIO-UHFFFAOYSA-N
XLogP3.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)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

5-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methoxybenzamide
CID 121180146
2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598394
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810446
1-(3,4-dimethoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598650
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810443
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
CID 114306224
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]furan-2-carboxamide
CID 97417363
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90598381
5-chloro-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methoxybenzamide
CID 111120000
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide (CID 90598388) is 5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCC(OC)c1ccc(C)s1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is RZEQESFDUOKSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-10-4-7-15(22-10)14(21-3)9-18-16(19)12-8-11(17)5-6-13(12)20-2/h4-8,14H,9H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 339.84 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 90598388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).