2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide

C19H22N2OS — CID 90619767

IUPAC2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
SMILESCSc1ccccc1C(=O)NCC1CCCN1c1ccccc1
InChIInChI=1S/C19H22N2OS/c1-23-18-12-6-5-11-17(18)19(22)20-14-16-10-7-13-21(16)15-8-3-2-4-9-15/h2-6,8-9,11-12,16H,7,10,13-14H2,1H3,(H,20,22)
InChIKeyQIHVSRRNKCWFML-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.81
Rot. Bonds5

About 2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide

2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 90619767) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
PubChem CID90619767
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
SMILESCSc1ccccc1C(=O)NCC1CCCN1c1ccccc1
InChIInChI=1S/C19H22N2OS/c1-23-18-12-6-5-11-17(18)19(22)20-14-16-10-7-13-21(16)15-8-3-2-4-9-15/h2-6,8-9,11-12,16H,7,10,13-14H2,1H3,(H,20,22)
InChIKeyQIHVSRRNKCWFML-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619780
2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 73168268
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99883062
6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 154868469
3,4-difluoro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 72719264
3,4-difluoro-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]benzamide
CID 99903473
N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide
CID 90619775
2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619796
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
N-[(1-phenylpyrrolidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 73168222
N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide
CID 106127010
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide (CID 90619767) is 2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide is CSc1ccccc1C(=O)NCC1CCCN1c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is QIHVSRRNKCWFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-23-18-12-6-5-11-17(18)19(22)20-14-16-10-7-13-21(16)15-8-3-2-4-9-15/h2-6,8-9,11-12,16H,7,10,13-14H2,1H3,(H,20,22).
What are the key properties of 2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 326.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 90619767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).