N-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide

C19H17NO2S — CID 2146639

IUPACN-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(CSc2ccccc2)o1
InChIInChI=1S/C19H17NO2S/c21-19(20-13-15-7-3-1-4-8-15)18-12-11-16(22-18)14-23-17-9-5-2-6-10-17/h1-12H,13-14H2,(H,20,21)
InChIKeyCHMLXPYARPFGJD-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.50
Rot. Bonds6

About N-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide

N-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 2146639) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID2146639
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC NameN-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(CSc2ccccc2)o1
InChIInChI=1S/C19H17NO2S/c21-19(20-13-15-7-3-1-4-8-15)18-12-11-16(22-18)14-23-17-9-5-2-6-10-17/h1-12H,13-14H2,(H,20,21)
InChIKeyCHMLXPYARPFGJD-UHFFFAOYSA-N
XLogP4.50
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide
CID 4651694
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
N-(sec-butyl)-5-{[(2-chlorobenzyl)thio]methyl}-2-furamide
CID 3553402
N-butyl-5-{[(2-fluorobenzyl)sulfonyl]methyl}-2-furamide
CID 3583186
N-cyclopentyl-5-{[(3-methylbenzyl)thio]methyl}-2-furamide
CID 3603967
N-(sec-butyl)-5-{[(4-chlorobenzyl)thio]methyl}-2-furamide
CID 3616502
5-{[(4-methylbenzyl)thio]methyl}-N-(3-methylbutyl)-2-furamide
CID 4207388
N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4207389
5-{[(2-chlorobenzyl)thio]methyl}-N-isopropyl-2-furamide
CID 4533619
N-butyl-5-{[(4-methylphenyl)sulfonyl]methyl}-2-furamide
CID 20859591
N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]-2-furamide
CID 22554748
N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 903828

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide (CID 2146639) is N-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide is O=C(NCc1ccccc1)c1ccc(CSc2ccccc2)o1.
What is the InChIKey of N-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is CHMLXPYARPFGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c21-19(20-13-15-7-3-1-4-8-15)18-12-11-16(22-18)14-23-17-9-5-2-6-10-17/h1-12H,13-14H2,(H,20,21).
What are the key properties of N-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide?
N-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 2146639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).