N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide

C21H19NO2S — CID 112766684

IUPACN-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
SMILESO=C(Nc1cccc(CO)c1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C21H19NO2S/c23-14-17-5-4-6-19(13-17)22-21(24)18-11-9-16(10-12-18)15-25-20-7-2-1-3-8-20/h1-13,23H,14-15H2,(H,22,24)
InChIKeyQYECOHSUCKTGRL-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.72
Rot. Bonds6

About N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide

N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide (PubChem CID 112766684) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
PubChem CID112766684
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
SMILESO=C(Nc1cccc(CO)c1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C21H19NO2S/c23-14-17-5-4-6-19(13-17)22-21(24)18-11-9-16(10-12-18)15-25-20-7-2-1-3-8-20/h1-13,23H,14-15H2,(H,22,24)
InChIKeyQYECOHSUCKTGRL-UHFFFAOYSA-N
XLogP4.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 3097669
N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2284612
4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
CID 35042620
4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide
CID 112845769
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
CID 2271018
N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1289534
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209
N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2899761
N-[3-(2-hydroxyethyl)phenyl]benzamide
CID 139896443
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
[4-(phenylsulfanylmethyl)phenyl]methanol
CID 59255239

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide (CID 112766684) is N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide is O=C(Nc1cccc(CO)c1)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide?
The InChIKey is QYECOHSUCKTGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c23-14-17-5-4-6-19(13-17)22-21(24)18-11-9-16(10-12-18)15-25-20-7-2-1-3-8-20/h1-13,23H,14-15H2,(H,22,24).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide?
N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide has a molecular weight of 349.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide is sourced from PubChem (CID 112766684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).