N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide

C22H23NO2S — CID 3432253

IUPACN-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(CSCc3cccc(C)c3)o2)cc1
InChIInChI=1S/C22H23NO2S/c1-16-6-8-18(9-7-16)13-23-22(24)21-11-10-20(25-21)15-26-14-19-5-3-4-17(2)12-19/h3-12H,13-15H2,1-2H3,(H,23,24)
InChIKeyYCGDKBMXSHVYNZ-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.26
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide

N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide (PubChem CID 3432253) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
PubChem CID3432253
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC NameN-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(CSCc3cccc(C)c3)o2)cc1
InChIInChI=1S/C22H23NO2S/c1-16-6-8-18(9-7-16)13-23-22(24)21-11-10-20(25-21)15-26-14-19-5-3-4-17(2)12-19/h3-12H,13-15H2,1-2H3,(H,23,24)
InChIKeyYCGDKBMXSHVYNZ-UHFFFAOYSA-N
XLogP5.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580705
N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5085443
5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3659648
N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5054167
5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3505696
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
N-[(3-methylphenyl)methyl]-5-nitrofuran-2-carboxamide
CID 34164755
5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 82110940
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3252059
5-(3-hydroxyphenyl)-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 142532375
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide (CID 3432253) is N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide is Cc1ccc(CNC(=O)c2ccc(CSCc3cccc(C)c3)o2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
The InChIKey is YCGDKBMXSHVYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-16-6-8-18(9-7-16)13-23-22(24)21-11-10-20(25-21)15-26-14-19-5-3-4-17(2)12-19/h3-12H,13-15H2,1-2H3,(H,23,24).
What are the key properties of N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 3432253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).