N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide

C14H19NO2S — CID 110851628

IUPACN-[(4-methoxyphenyl)methyl]thiane-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCCS2)cc1
InChIInChI=1S/C14H19NO2S/c1-17-12-7-5-11(6-8-12)10-15-14(16)13-4-2-3-9-18-13/h5-8,13H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyBJYVUIDAMXXNFS-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.60
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide

N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide (PubChem CID 110851628) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]thiane-2-carboxamide
PubChem CID110851628
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[(4-methoxyphenyl)methyl]thiane-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCCS2)cc1
InChIInChI=1S/C14H19NO2S/c1-17-12-7-5-11(6-8-12)10-15-14(16)13-4-2-3-9-18-13/h5-8,13H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyBJYVUIDAMXXNFS-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide
CID 71926113
N-[(4-methylphenyl)methyl]thiolane-2-carboxamide
CID 110850879
N-(4-methoxyphenyl)thiolane-2-carboxamide
CID 110860067
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
(1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 7959638
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630
(1R,6R)-6-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 6938180
(1R,2S,3R,4R)-3-[(4-methoxyphenyl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124578062
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 115161488

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide (CID 110851628) is N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide is COc1ccc(CNC(=O)C2CCCCS2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide?
The InChIKey is BJYVUIDAMXXNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-17-12-7-5-11(6-8-12)10-15-14(16)13-4-2-3-9-18-13/h5-8,13H,2-4,9-10H2,1H3,(H,15,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide?
N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]thiane-2-carboxamide is sourced from PubChem (CID 110851628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).