2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide

C26H34N2O4S2 — CID 3134403

IUPAC2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCC1CCCC(CNC(=O)c2ccc(SC)cc2OC)C1
InChIInChI=1S/C26H34N2O4S2/c1-31-23-13-19(33-3)8-10-21(23)25(29)27-15-17-6-5-7-18(12-17)16-28-26(30)22-11-9-20(34-4)14-24(22)32-2/h8-11,13-14,17-18H,5-7,12,15-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyWUWFZXGYCMUVKY-UHFFFAOYSA-N
MW502.70 g/mol
LogP5.11
Rot. Bonds10

About 2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide

2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide (PubChem CID 3134403) has the molecular formula C26H34N2O4S2 and a molecular weight of 502.70 g/mol. Its IUPAC name is 2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide
PubChem CID3134403
Molecular FormulaC26H34N2O4S2
Molecular Weight502.70 g/mol
Exact Mass502.20
IUPAC Name2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCC1CCCC(CNC(=O)c2ccc(SC)cc2OC)C1
InChIInChI=1S/C26H34N2O4S2/c1-31-23-13-19(33-3)8-10-21(23)25(29)27-15-17-6-5-7-18(12-17)16-28-26(30)22-11-9-20(34-4)14-24(22)32-2/h8-11,13-14,17-18H,5-7,12,15-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyWUWFZXGYCMUVKY-UHFFFAOYSA-N
XLogP5.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide with MolForge

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Related Compounds

2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
N-[(3-chlorocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106132134
N-[(3-aminocyclohexyl)methyl]-2,4-dimethoxybenzamide
CID 106123339
4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide
CID 106131969
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
N-[(3-bromocyclohexyl)methyl]-2-chloro-5-methylsulfanylbenzamide
CID 106132547
2-methoxy-4-methylsulfanyl-N-propan-2-ylbenzamide
CID 669888
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide
CID 670832
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-4-methylsulfanylbenzamide
CID 885094
2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide
CID 114146880
N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide
CID 7924721

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide?
The IUPAC name of 2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide (CID 3134403) is 2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for 2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide?
The canonical SMILES for 2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)NCC1CCCC(CNC(=O)c2ccc(SC)cc2OC)C1.
What is the InChIKey of 2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide?
The InChIKey is WUWFZXGYCMUVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4S2/c1-31-23-13-19(33-3)8-10-21(23)25(29)27-15-17-6-5-7-18(12-17)16-28-26(30)22-11-9-20(34-4)14-24(22)32-2/h8-11,13-14,17-18H,5-7,12,15-16H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide?
2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide has a molecular weight of 502.70 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-[[(2-methoxy-4-methylsulfanylbenzoyl)amino]methyl]cyclohexyl]methyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 3134403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).