N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide

C22H28N2OS — CID 125155907

IUPACN-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide
SMILESCCN1CCCC[C@@H]1CNC(=O)c1cccc(-c2ccc(SC)cc2)c1
InChIInChI=1S/C22H28N2OS/c1-3-24-14-5-4-9-20(24)16-23-22(25)19-8-6-7-18(15-19)17-10-12-21(26-2)13-11-17/h6-8,10-13,15,20H,3-5,9,14,16H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyMQEIIOFFKNRMKH-HXUWFJFHSA-N
MW368.55 g/mol
LogP4.68
Rot. Bonds6

About N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide

N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide (PubChem CID 125155907) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide
PubChem CID125155907
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC NameN-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide
SMILESCCN1CCCC[C@@H]1CNC(=O)c1cccc(-c2ccc(SC)cc2)c1
InChIInChI=1S/C22H28N2OS/c1-3-24-14-5-4-9-20(24)16-23-22(25)19-8-6-7-18(15-19)17-10-12-21(26-2)13-11-17/h6-8,10-13,15,20H,3-5,9,14,16H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyMQEIIOFFKNRMKH-HXUWFJFHSA-N
XLogP4.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)benzamide
CID 126428928
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
4-[3-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]phenyl]-3-methoxybenzoic acid
CID 131917228
acetic acid;4-[3-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]phenyl]-3-methoxybenzoic acid
CID 154909912
N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 43403017
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107021319
2-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]phenyl]-N,N-dimethylbenzamide
CID 126426041
3-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(4-methylphenyl)sulfanylbenzamide
CID 3444820
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
CID 125163852
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide (CID 125155907) is N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide is CCN1CCCC[C@@H]1CNC(=O)c1cccc(-c2ccc(SC)cc2)c1.
What is the InChIKey of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide?
The InChIKey is MQEIIOFFKNRMKH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-3-24-14-5-4-9-20(24)16-23-22(25)19-8-6-7-18(15-19)17-10-12-21(26-2)13-11-17/h6-8,10-13,15,20H,3-5,9,14,16H2,1-2H3,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide?
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide has a molecular weight of 368.55 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 125155907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).