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

C20H24N2OS — CID 90619780

IUPAC2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCC1CCCN1c1ccccc1
InChIInChI=1S/C20H24N2OS/c1-2-24-19-13-7-6-12-18(19)20(23)21-15-17-11-8-14-22(17)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3,(H,21,23)
InChIKeyRBMICXUBNMSMKH-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.20
Rot. Bonds6

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

2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 90619780) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
PubChem CID90619780
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
SMILESCCSc1ccccc1C(=O)NCC1CCCN1c1ccccc1
InChIInChI=1S/C20H24N2OS/c1-2-24-19-13-7-6-12-18(19)20(23)21-15-17-11-8-14-22(17)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3,(H,21,23)
InChIKeyRBMICXUBNMSMKH-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619767
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
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
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
2-ethylsulfanyl-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624812
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]-1,3-benzothiazole-2-carboxamide
CID 73168222

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide (CID 90619780) is 2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide is CCSc1ccccc1C(=O)NCC1CCCN1c1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is RBMICXUBNMSMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-2-24-19-13-7-6-12-18(19)20(23)21-15-17-11-8-14-22(17)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3,(H,21,23).
What are the key properties of 2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 340.49 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 90619780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).