N-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide

C21H21NO3S — CID 2146644

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(CSc3ccccc3)o2)cc1
InChIInChI=1S/C21H21NO3S/c1-24-17-9-7-16(8-10-17)13-14-22-21(23)20-12-11-18(25-20)15-26-19-5-3-2-4-6-19/h2-12H,13-15H2,1H3,(H,22,23)
InChIKeyIWMKQXWYOCOGLU-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.55
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 2146644) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID2146644
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(CSc3ccccc3)o2)cc1
InChIInChI=1S/C21H21NO3S/c1-24-17-9-7-16(8-10-17)13-14-22-21(23)20-12-11-18(25-20)15-26-19-5-3-2-4-6-19/h2-12H,13-15H2,1H3,(H,22,23)
InChIKeyIWMKQXWYOCOGLU-UHFFFAOYSA-N
XLogP4.55
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
4-[(2R)-2-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}propoxy]benzamide
CID 23647085
N-benzyl-5-[(phenylthio)methyl]-2-furamide
CID 2146639
5-[(4-methylphenoxy)methyl]-N-propyl-2-furamide
CID 2200397
4-methoxy-N-{2-[(2-methylphenyl)thio]ethyl}benzamide
CID 2216639
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2363992
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide (CID 2146644) is N-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide is COc1ccc(CCNC(=O)c2ccc(CSc3ccccc3)o2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is IWMKQXWYOCOGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-24-17-9-7-16(8-10-17)13-14-22-21(23)20-12-11-18(25-20)15-26-19-5-3-2-4-6-19/h2-12H,13-15H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 2146644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).