5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide

C16H18ClNO2S — CID 3668905

IUPAC5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
SMILESCc1cccc(C)c1OCC(C)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClNO2S/c1-10-5-4-6-11(2)15(10)20-9-12(3)18-16(19)13-7-8-14(17)21-13/h4-8,12H,9H2,1-3H3,(H,18,19)
InChIKeyACRIRNLVFGZHHN-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.22
Rot. Bonds5

About 5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide

5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide (PubChem CID 3668905) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
PubChem CID3668905
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
SMILESCc1cccc(C)c1OCC(C)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClNO2S/c1-10-5-4-6-11(2)15(10)20-9-12(3)18-16(19)13-7-8-14(17)21-13/h4-8,12H,9H2,1-3H3,(H,18,19)
InChIKeyACRIRNLVFGZHHN-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide 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-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
N-(1-aminopropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 63733398
5-chloro-N-[(2R)-1-hydroxypropan-2-yl]thiophene-2-carboxamide
CID 79030843
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47097917
4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide
CID 57406374
5-chloro-N-propan-2-yloxythiophene-2-carboxamide
CID 131162409
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
N-(5-bromopentan-2-yl)-5-chlorothiophene-2-carboxamide
CID 114316562
diethyl 2-[(5-chlorothiophene-2-carbonyl)amino]propanedioate
CID 33241351

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide (CID 3668905) is 5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide is Cc1cccc(C)c1OCC(C)NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is ACRIRNLVFGZHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-10-5-4-6-11(2)15(10)20-9-12(3)18-16(19)13-7-8-14(17)21-13/h4-8,12H,9H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide?
5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 323.85 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 3668905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).