2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide

C17H25ClN2OS — CID 94821318

IUPAC2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide
SMILESCSc1ccc(Cl)c(C(=O)NC[C@H]2CCCN(C(C)C)C2)c1
InChIInChI=1S/C17H25ClN2OS/c1-12(2)20-8-4-5-13(11-20)10-19-17(21)15-9-14(22-3)6-7-16(15)18/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyBWELFFBZPDUNOK-CYBMUJFWSA-N
MW340.92 g/mol
LogP3.91
Rot. Bonds5

About 2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide

2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide (PubChem CID 94821318) has the molecular formula C17H25ClN2OS and a molecular weight of 340.92 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide
PubChem CID94821318
Molecular FormulaC17H25ClN2OS
Molecular Weight340.92 g/mol
Exact Mass340.14
IUPAC Name2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide
SMILESCSc1ccc(Cl)c(C(=O)NC[C@H]2CCCN(C(C)C)C2)c1
InChIInChI=1S/C17H25ClN2OS/c1-12(2)20-8-4-5-13(11-20)10-19-17(21)15-9-14(22-3)6-7-16(15)18/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyBWELFFBZPDUNOK-CYBMUJFWSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60616293
N-[(3-bromocyclohexyl)methyl]-2-chloro-5-methylsulfanylbenzamide
CID 106132547
2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide
CID 114146880
2-chloro-5-methylsulfanyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462907
N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60614144
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60614096
2-chloro-N-[[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42594765
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
CID 39483842
1-oxido-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridin-1-ium-4-carboxamide
CID 60614188
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 26323757

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide (CID 94821318) is 2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide is CSc1ccc(Cl)c(C(=O)NC[C@H]2CCCN(C(C)C)C2)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide?
The InChIKey is BWELFFBZPDUNOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25ClN2OS/c1-12(2)20-8-4-5-13(11-20)10-19-17(21)15-9-14(22-3)6-7-16(15)18/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide?
2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide has a molecular weight of 340.92 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 94821318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).