N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide

C22H23NO4S — CID 21047558

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Sc3c(C)cccc3C)o2)cc1OC
InChIInChI=1S/C22H23NO4S/c1-14-6-5-7-15(2)21(14)28-20-11-10-18(27-20)22(24)23-13-16-8-9-17(25-3)19(12-16)26-4/h5-12H,13H2,1-4H3,(H,23,24)
InChIKeyHINJBWRBWPPOPE-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.99
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide (PubChem CID 21047558) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide
PubChem CID21047558
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Sc3c(C)cccc3C)o2)cc1OC
InChIInChI=1S/C22H23NO4S/c1-14-6-5-7-15(2)21(14)28-20-11-10-18(27-20)22(24)23-13-16-8-9-17(25-3)19(12-16)26-4/h5-12H,13H2,1-4H3,(H,23,24)
InChIKeyHINJBWRBWPPOPE-UHFFFAOYSA-N
XLogP4.99
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383812
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylanilino)pyrazine-2-carboxamide
CID 109285895
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046099
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047159
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285896
N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 35523266
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9269145
5-(2,6-dimethylphenyl)sulfanyl-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylfuran-2-carboxamide
CID 21046123

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide (CID 21047558) is N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide is COc1ccc(CNC(=O)c2ccc(Sc3c(C)cccc3C)o2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide?
The InChIKey is HINJBWRBWPPOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-14-6-5-7-15(2)21(14)28-20-11-10-18(27-20)22(24)23-13-16-8-9-17(25-3)19(12-16)26-4/h5-12H,13H2,1-4H3,(H,23,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide is sourced from PubChem (CID 21047558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).