N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide

C18H16N2OS — CID 24536258

IUPACN-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
SMILESCSc1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C18H16N2OS/c1-22-17-6-4-5-15(13-17)19-18(21)14-7-9-16(10-8-14)20-11-2-3-12-20/h2-13H,1H3,(H,19,21)
InChIKeyIAKUTPVZCOUBLO-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.45
Rot. Bonds4

About N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide

N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide (PubChem CID 24536258) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
PubChem CID24536258
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
SMILESCSc1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C18H16N2OS/c1-22-17-6-4-5-15(13-17)19-18(21)14-7-9-16(10-8-14)20-11-2-3-12-20/h2-13H,1H3,(H,19,21)
InChIKeyIAKUTPVZCOUBLO-UHFFFAOYSA-N
XLogP4.45
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
4-cyano-N-(3-methylsulfanylphenyl)benzamide
CID 2665655
N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24624578
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056
N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 8761868
N-(3-methylsulfanylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067517
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide
CID 104627461

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide (CID 24536258) is N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide is CSc1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide?
The InChIKey is IAKUTPVZCOUBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-22-17-6-4-5-15(13-17)19-18(21)14-7-9-16(10-8-14)20-11-2-3-12-20/h2-13H,1H3,(H,19,21).
What are the key properties of N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide?
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide has a molecular weight of 308.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 24536258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).