N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide

C20H18ClNO2S — CID 5085443

IUPACN-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(CSCc2cccc(Cl)c2)o1
InChIInChI=1S/C20H18ClNO2S/c21-17-8-4-7-16(11-17)13-25-14-18-9-10-19(24-18)20(23)22-12-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,22,23)
InChIKeyVYYNCSWQYCRPNV-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.30
Rot. Bonds7

About N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide

N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide (PubChem CID 5085443) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
PubChem CID5085443
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC NameN-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(CSCc2cccc(Cl)c2)o1
InChIInChI=1S/C20H18ClNO2S/c21-17-8-4-7-16(11-17)13-25-14-18-9-10-19(24-18)20(23)22-12-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,22,23)
InChIKeyVYYNCSWQYCRPNV-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

Analyze N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5054167
N-[(4-methylphenyl)methyl]-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3432253
5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3505696
5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580705
5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 114792304
5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 20899478
5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide
CID 22587861
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
N-butyl-5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3358106
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 22554499
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 22554522
4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
CID 2271018

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide (CID 5085443) is N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide is O=C(NCc1ccccc1)c1ccc(CSCc2cccc(Cl)c2)o1.
What is the InChIKey of N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide?
The InChIKey is VYYNCSWQYCRPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c21-17-8-4-7-16(11-17)13-25-14-18-9-10-19(24-18)20(23)22-12-15-5-2-1-3-6-15/h1-11H,12-14H2,(H,22,23).
What are the key properties of N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide?
N-benzyl-5-[(3-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-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 5085443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).