4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide

C22H17N3OS — CID 112845769

IUPAC4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide
SMILESO=C(Nc1ccc2nccnc2c1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C22H17N3OS/c26-22(25-18-10-11-20-21(14-18)24-13-12-23-20)17-8-6-16(7-9-17)15-27-19-4-2-1-3-5-19/h1-14H,15H2,(H,25,26)
InChIKeyLEVIFCVGHAKBQH-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.17
Rot. Bonds5

About 4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide

4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide (PubChem CID 112845769) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide.

Molecular Properties

Compound Name4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide
PubChem CID112845769
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide
SMILESO=C(Nc1ccc2nccnc2c1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C22H17N3OS/c26-22(25-18-10-11-20-21(14-18)24-13-12-23-20)17-8-6-16(7-9-17)15-27-19-4-2-1-3-5-19/h1-14H,15H2,(H,25,26)
InChIKeyLEVIFCVGHAKBQH-UHFFFAOYSA-N
XLogP5.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 112766684
N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2284612
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209
N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
CID 851612
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2899761
N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 3097669
4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
CID 35042620
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-quinolin-6-ylbenzamide
CID 833617
4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5412791
4-[(N-methylsulfonylanilino)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28589870

Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide?
The IUPAC name of 4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide (CID 112845769) is 4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide.
What is the SMILES notation for 4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide?
The canonical SMILES for 4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide is O=C(Nc1ccc2nccnc2c1)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide?
The InChIKey is LEVIFCVGHAKBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-22(25-18-10-11-20-21(14-18)24-13-12-23-20)17-8-6-16(7-9-17)15-27-19-4-2-1-3-5-19/h1-14H,15H2,(H,25,26).
What are the key properties of 4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide?
4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide has a molecular weight of 371.47 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfanylmethyl)-N-quinoxalin-6-ylbenzamide is sourced from PubChem (CID 112845769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).