N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide

C23H24N4OS — CID 50848410

IUPACN-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
SMILESCSc1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCC3)cc2)cc1
InChIInChI=1S/C23H24N4OS/c1-29-20-10-4-17(5-11-20)16-26-23(28)19-8-6-18(7-9-19)21-22(25-13-12-24-21)27-14-2-3-15-27/h4-13H,2-3,14-16H2,1H3,(H,26,28)
InChIKeyQUSLZAUWZLLNMG-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.40
Rot. Bonds6

About N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide

N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide (PubChem CID 50848410) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
PubChem CID50848410
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
SMILESCSc1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCC3)cc2)cc1
InChIInChI=1S/C23H24N4OS/c1-29-20-10-4-17(5-11-20)16-26-23(28)19-8-6-18(7-9-19)21-22(25-13-12-24-21)27-14-2-3-15-27/h4-13H,2-3,14-16H2,1H3,(H,26,28)
InChIKeyQUSLZAUWZLLNMG-UHFFFAOYSA-N
XLogP4.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848231
N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848385
4-methylsulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 78889639
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848279
N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847636
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847665
N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098874
4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
CID 50848338
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide (CID 50848410) is N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide is CSc1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCC3)cc2)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The InChIKey is QUSLZAUWZLLNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-29-20-10-4-17(5-11-20)16-26-23(28)19-8-6-18(7-9-19)21-22(25-13-12-24-21)27-14-2-3-15-27/h4-13H,2-3,14-16H2,1H3,(H,26,28).
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide has a molecular weight of 404.54 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide is sourced from PubChem (CID 50848410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).