N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide

C20H19NO3S — CID 2985786

IUPACN-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)o1
InChIInChI=1S/C20H19NO3S/c1-14-7-10-16(11-8-14)25-13-15-9-12-19(24-15)20(22)21-17-5-3-4-6-18(17)23-2/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyQLAOPOXYDOOFSZ-UHFFFAOYSA-N
MW353.44 g/mol
LogP5.14
Rot. Bonds6

About N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide

N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 2985786) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
PubChem CID2985786
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)o1
InChIInChI=1S/C20H19NO3S/c1-14-7-10-16(11-8-14)25-13-15-9-12-19(24-15)20(22)21-17-5-3-4-6-18(17)23-2/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyQLAOPOXYDOOFSZ-UHFFFAOYSA-N
XLogP5.14
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 1235920
5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 878115
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1260786
5-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 21045960
N-(2-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35529212
N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 28771995
N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 131905397
N-[2-(2-chlorophenoxy)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 86912166
N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 4897775
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
N-(3-methylbutan-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 43056886

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide (CID 2985786) is N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide is COc1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)o1.
What is the InChIKey of N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is QLAOPOXYDOOFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-14-7-10-16(11-8-14)25-13-15-9-12-19(24-15)20(22)21-17-5-3-4-6-18(17)23-2/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide?
N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 2985786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).