2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide

C18H27N3O2S — CID 124730047

IUPAC2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide
SMILESCCN1CCCC[C@@H]1CNC(=O)c1ccccc1S[C@@H](C)C(N)=O
InChIInChI=1S/C18H27N3O2S/c1-3-21-11-7-6-8-14(21)12-20-18(23)15-9-4-5-10-16(15)24-13(2)17(19)22/h4-5,9-10,13-14H,3,6-8,11-12H2,1-2H3,(H2,19,22)(H,20,23)/t13-,14+/m0/s1
InChIKeyGWUFHWLILHWLEH-UONOGXRCSA-N
MW349.50 g/mol
LogP2.26
Rot. Bonds7

About 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide

2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide (PubChem CID 124730047) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide
PubChem CID124730047
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide
SMILESCCN1CCCC[C@@H]1CNC(=O)c1ccccc1S[C@@H](C)C(N)=O
InChIInChI=1S/C18H27N3O2S/c1-3-21-11-7-6-8-14(21)12-20-18(23)15-9-4-5-10-16(15)24-13(2)17(19)22/h4-5,9-10,13-14H,3,6-8,11-12H2,1-2H3,(H2,19,22)(H,20,23)/t13-,14+/m0/s1
InChIKeyGWUFHWLILHWLEH-UONOGXRCSA-N
XLogP2.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120646104
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide
CID 71703495
2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[2-(1-methylcyclopropyl)ethyl]benzamide
CID 124854776
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95329398
3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 96516588
2-amino-6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 55244322
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide?
The IUPAC name of 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide (CID 124730047) is 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide?
The canonical SMILES for 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide is CCN1CCCC[C@@H]1CNC(=O)c1ccccc1S[C@@H](C)C(N)=O.
What is the InChIKey of 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide?
The InChIKey is GWUFHWLILHWLEH-UONOGXRCSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-3-21-11-7-6-8-14(21)12-20-18(23)15-9-4-5-10-16(15)24-13(2)17(19)22/h4-5,9-10,13-14H,3,6-8,11-12H2,1-2H3,(H2,19,22)(H,20,23)/t13-,14+/m0/s1.
What are the key properties of 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide?
2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide has a molecular weight of 349.50 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]benzamide is sourced from PubChem (CID 124730047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).