2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide

C28H34N4O5S — CID 58842700

IUPAC2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2OC)CCC(NS(=O)(=O)NCc2ccccn2)CC1
InChIInChI=1S/C28H34N4O5S/c1-36-25-12-5-3-10-23(25)27(33)30-20-28(24-11-4-6-13-26(24)37-2)16-14-21(15-17-28)32-38(34,35)31-19-22-9-7-8-18-29-22/h3-13,18,21,31-32H,14-17,19-20H2,1-2H3,(H,30,33)
InChIKeyOENJVRVLPRXQPR-UHFFFAOYSA-N
MW538.67 g/mol
LogP3.33
Rot. Bonds11

About 2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide

2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide (PubChem CID 58842700) has the molecular formula C28H34N4O5S and a molecular weight of 538.67 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide
PubChem CID58842700
Molecular FormulaC28H34N4O5S
Molecular Weight538.67 g/mol
Exact Mass538.22
IUPAC Name2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2OC)CCC(NS(=O)(=O)NCc2ccccn2)CC1
InChIInChI=1S/C28H34N4O5S/c1-36-25-12-5-3-10-23(25)27(33)30-20-28(24-11-4-6-13-26(24)37-2)16-14-21(15-17-28)32-38(34,35)31-19-22-9-7-8-18-29-22/h3-13,18,21,31-32H,14-17,19-20H2,1-2H3,(H,30,33)
InChIKeyOENJVRVLPRXQPR-UHFFFAOYSA-N
XLogP3.33
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide with MolForge

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Related Compounds

2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide
CID 70829537
N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842327
N-[[4-[2-[(5-bromopyrimidin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842646
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110444314
2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842388
1-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967683
2-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444105
2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
2-methoxy-N-[[4-(methylamino)-1-phenylcyclohexyl]methyl]benzamide;2-methoxy-N-[[4-(methylsulfonylcarbamoylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 157499137
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 71887279

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide (CID 58842700) is 2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide is COc1ccccc1C(=O)NCC1(c2ccccc2OC)CCC(NS(=O)(=O)NCc2ccccn2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide?
The InChIKey is OENJVRVLPRXQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5S/c1-36-25-12-5-3-10-23(25)27(33)30-20-28(24-11-4-6-13-26(24)37-2)16-14-21(15-17-28)32-38(34,35)31-19-22-9-7-8-18-29-22/h3-13,18,21,31-32H,14-17,19-20H2,1-2H3,(H,30,33).
What are the key properties of 2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide?
2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide has a molecular weight of 538.67 g/mol, XLogP of 3.33, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 58842700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).