2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C22H35N3O3S — CID 55979629

IUPAC2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(CCSC)C(=O)NCC(C)CN1CCCCC1
InChIInChI=1S/C22H35N3O3S/c1-17(16-25-12-7-4-8-13-25)15-23-22(27)19(11-14-29-3)24-21(26)18-9-5-6-10-20(18)28-2/h5-6,9-10,17,19H,4,7-8,11-16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyASIVEMDIGVYWCK-UHFFFAOYSA-N
MW421.61 g/mol
LogP2.78
Rot. Bonds11

About 2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 55979629) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is 2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID55979629
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC Name2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(CCSC)C(=O)NCC(C)CN1CCCCC1
InChIInChI=1S/C22H35N3O3S/c1-17(16-25-12-7-4-8-13-25)15-23-22(27)19(11-14-29-3)24-21(26)18-9-5-6-10-20(18)28-2/h5-6,9-10,17,19H,4,7-8,11-16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyASIVEMDIGVYWCK-UHFFFAOYSA-N
XLogP2.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

2-methoxy-N-[(2R)-4-methylsulfanyl-1-oxo-1-(prop-2-ynylamino)butan-2-yl]benzamide
CID 9267245
2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[(2-pyrrolidin-1-ylphenyl)methylamino]butan-2-yl]benzamide
CID 55981451
2-bromo-N-[(2R)-4-methylsulfanyl-1-oxo-1-[[(2R)-2-piperidin-1-ylpropyl]amino]butan-2-yl]benzamide
CID 51967028
2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[[3-oxo-3-(prop-2-ynylamino)propyl]amino]butan-2-yl]benzamide
CID 49208295
N-[1-[[3-(dimethylamino)-3-oxopropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55752115
N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 8000374
N-[1-[2-(4-fluorophenoxy)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 43062435
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 2451199
(2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 2451201
2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[[2-(phenoxymethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 43062598
N-[1-[(1-benzylpiperidin-4-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 42910422
2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]butan-2-yl]benzamide
CID 55693632

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 55979629) is 2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is COc1ccccc1C(=O)NC(CCSC)C(=O)NCC(C)CN1CCCCC1.
What is the InChIKey of 2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is ASIVEMDIGVYWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-17(16-25-12-7-4-8-13-25)15-23-22(27)19(11-14-29-3)24-21(26)18-9-5-6-10-20(18)28-2/h5-6,9-10,17,19H,4,7-8,11-16H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 421.61 g/mol, XLogP of 2.78, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55979629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).