4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide

C26H34ClN3O5S — CID 11606261

IUPAC4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](CSC)C(=O)NC2CCN(C)CC2)cc(OC)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C26H34ClN3O5S/c1-30-11-9-20(10-12-30)28-26(32)21(16-36-4)29-25(31)18-13-22(33-2)24(23(14-18)34-3)35-15-17-5-7-19(27)8-6-17/h5-8,13-14,20-21H,9-12,15-16H2,1-4H3,(H,28,32)(H,29,31)/t21-/m0/s1
InChIKeyBMDHWLDDCUBVSS-NRFANRHFSA-N
MW536.09 g/mol
LogP3.61
Rot. Bonds11

About 4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide

4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide (PubChem CID 11606261) has the molecular formula C26H34ClN3O5S and a molecular weight of 536.09 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide
PubChem CID11606261
Molecular FormulaC26H34ClN3O5S
Molecular Weight536.09 g/mol
Exact Mass535.19
IUPAC Name4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](CSC)C(=O)NC2CCN(C)CC2)cc(OC)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C26H34ClN3O5S/c1-30-11-9-20(10-12-30)28-26(32)21(16-36-4)29-25(31)18-13-22(33-2)24(23(14-18)34-3)35-15-17-5-7-19(27)8-6-17/h5-8,13-14,20-21H,9-12,15-16H2,1-4H3,(H,28,32)(H,29,31)/t21-/m0/s1
InChIKeyBMDHWLDDCUBVSS-NRFANRHFSA-N
XLogP3.61
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.09
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide with MolForge

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Related Compounds

3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide
CID 11719777
3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide
CID 24504215
N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 6723761
3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 163363376
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242
2-(2,4-dichlorophenoxy)-N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
CID 75237780
2-(2,4-dichlorophenoxy)-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]pyridine-3-carboxamide
CID 46869368
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 8706920
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
CID 118711000

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide (CID 11606261) is 4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide is COc1cc(C(=O)N[C@@H](CSC)C(=O)NC2CCN(C)CC2)cc(OC)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide?
The InChIKey is BMDHWLDDCUBVSS-NRFANRHFSA-N. The full InChI is InChI=1S/C26H34ClN3O5S/c1-30-11-9-20(10-12-30)28-26(32)21(16-36-4)29-25(31)18-13-22(33-2)24(23(14-18)34-3)35-15-17-5-7-19(27)8-6-17/h5-8,13-14,20-21H,9-12,15-16H2,1-4H3,(H,28,32)(H,29,31)/t21-/m0/s1.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide?
4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide has a molecular weight of 536.09 g/mol, XLogP of 3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-3,5-dimethoxy-N-[(2R)-1-[(1-methylpiperidin-4-yl)amino]-3-methylsulfanyl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 11606261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).