2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide

C26H37N3O5S — CID 58842388

IUPAC2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide
SMILESCCC(COC)NS(=O)(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C26H37N3O5S/c1-4-21(18-33-2)28-35(31,32)29-22-14-16-26(17-15-22,20-10-6-5-7-11-20)19-27-25(30)23-12-8-9-13-24(23)34-3/h5-13,21-22,28-29H,4,14-19H2,1-3H3,(H,27,30)
InChIKeyPASRXIURNLMHGP-UHFFFAOYSA-N
MW503.67 g/mol
LogP3.15
Rot. Bonds12

About 2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide

2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide (PubChem CID 58842388) has the molecular formula C26H37N3O5S and a molecular weight of 503.67 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide
PubChem CID58842388
Molecular FormulaC26H37N3O5S
Molecular Weight503.67 g/mol
Exact Mass503.25
IUPAC Name2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide
SMILESCCC(COC)NS(=O)(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C26H37N3O5S/c1-4-21(18-33-2)28-35(31,32)29-22-14-16-26(17-15-22,20-10-6-5-7-11-20)19-27-25(30)23-12-8-9-13-24(23)34-3/h5-13,21-22,28-29H,4,14-19H2,1-3H3,(H,27,30)
InChIKeyPASRXIURNLMHGP-UHFFFAOYSA-N
XLogP3.15
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.67
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide with MolForge

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Related Compounds

2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842327
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide
CID 142271283
N-[[4-[2-[(5-bromopyrimidin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842646
2-methoxy-N-[[4-(methylamino)-1-phenylcyclohexyl]methyl]benzamide;2-methoxy-N-[[4-(methylsulfonylcarbamoylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 157499137
2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide
CID 70829537
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(4-methoxybutyl)carbamate
CID 20596159
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
N-[[1-(1-hydroxypropan-2-ylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22241040
N-[[4-[(N-cyano-N'-methylcarbamimidoyl)amino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842288
N-[[1-[(1-cyclohexyl-3-hydroxypropan-2-yl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22240612

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide (CID 58842388) is 2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide is CCC(COC)NS(=O)(=O)NC1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of 2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide?
The InChIKey is PASRXIURNLMHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O5S/c1-4-21(18-33-2)28-35(31,32)29-22-14-16-26(17-15-22,20-10-6-5-7-11-20)19-27-25(30)23-12-8-9-13-24(23)34-3/h5-13,21-22,28-29H,4,14-19H2,1-3H3,(H,27,30).
What are the key properties of 2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide?
2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide has a molecular weight of 503.67 g/mol, XLogP of 3.15, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide is sourced from PubChem (CID 58842388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).