N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide

C20H18ClNO2S — CID 5054167

IUPACN-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(CSCc2ccccc2Cl)o1
InChIInChI=1S/C20H18ClNO2S/c21-18-9-5-4-8-16(18)13-25-14-17-10-11-19(24-17)20(23)22-12-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,23)
InChIKeyVQBWYZDEIHRUIT-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.30
Rot. Bonds7

About N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide

N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide (PubChem CID 5054167) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
PubChem CID5054167
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC NameN-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(CSCc2ccccc2Cl)o1
InChIInChI=1S/C20H18ClNO2S/c21-18-9-5-4-8-16(18)13-25-14-17-10-11-19(24-17)20(23)22-12-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,23)
InChIKeyVQBWYZDEIHRUIT-UHFFFAOYSA-N
XLogP5.30
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5085443
N-[(5-bromo-2-methoxyphenyl)methyl]-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4533618
5-[(2-chlorophenyl)methylsulfanylmethyl]-N-[2-(3,4-diethoxyphenyl)ethyl]furan-2-carboxamide
CID 20968383
N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3432253
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580707
N-[(2-chlorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047293
N-[(2-chlorophenyl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 39854547
5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3505696
N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859683
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 21046086
N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554587

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide (CID 5054167) is N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide is O=C(NCc1ccccc1)c1ccc(CSCc2ccccc2Cl)o1.
What is the InChIKey of N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide?
The InChIKey is VQBWYZDEIHRUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c21-18-9-5-4-8-16(18)13-25-14-17-10-11-19(24-17)20(23)22-12-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,23).
What are the key properties of N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide?
N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 5054167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).