N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide

C28H37N7O6S — CID 58842327

IUPACN-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
SMILESCOc1nc(NCCNS(=O)(=O)NC2CCC(CNC(=O)c3ccccc3OC)(c3ccccc3)CC2)nc(OC)n1
InChIInChI=1S/C28H37N7O6S/c1-39-23-12-8-7-11-22(23)24(36)30-19-28(20-9-5-4-6-10-20)15-13-21(14-16-28)35-42(37,38)31-18-17-29-25-32-26(40-2)34-27(33-25)41-3/h4-12,21,31,35H,13-19H2,1-3H3,(H,30,36)(H,29,32,33,34)
InChIKeyWQNYKOWYTSRIAO-UHFFFAOYSA-N
MW599.71 g/mol
LogP2.04
Rot. Bonds14

About N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide

N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide (PubChem CID 58842327) has the molecular formula C28H37N7O6S and a molecular weight of 599.71 g/mol. Its IUPAC name is N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
PubChem CID58842327
Molecular FormulaC28H37N7O6S
Molecular Weight599.71 g/mol
Exact Mass599.25
IUPAC NameN-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
SMILESCOc1nc(NCCNS(=O)(=O)NC2CCC(CNC(=O)c3ccccc3OC)(c3ccccc3)CC2)nc(OC)n1
InChIInChI=1S/C28H37N7O6S/c1-39-23-12-8-7-11-22(23)24(36)30-19-28(20-9-5-4-6-10-20)15-13-21(14-16-28)35-42(37,38)31-18-17-29-25-32-26(40-2)34-27(33-25)41-3/h4-12,21,31,35H,13-19H2,1-3H3,(H,30,36)(H,29,32,33,34)
InChIKeyWQNYKOWYTSRIAO-UHFFFAOYSA-N
XLogP2.04
TPSA165.69 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.71
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[2-[(5-bromopyrimidin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842646
2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842388
2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
2-methoxy-N-[[1-(2-methoxyphenyl)-4-(pyridin-2-ylmethylsulfamoylamino)cyclohexyl]methyl]benzamide
CID 58842700
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
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(4-methoxybutyl)carbamate
CID 20596159
N-[[4-[(N-cyano-N'-methylcarbamimidoyl)amino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842288
N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 58596001
propan-2-yl N-[2-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]ethyl]carbamate
CID 20596182

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide (CID 58842327) is N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide is COc1nc(NCCNS(=O)(=O)NC2CCC(CNC(=O)c3ccccc3OC)(c3ccccc3)CC2)nc(OC)n1.
What is the InChIKey of N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
The InChIKey is WQNYKOWYTSRIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O6S/c1-39-23-12-8-7-11-22(23)24(36)30-19-28(20-9-5-4-6-10-20)15-13-21(14-16-28)35-42(37,38)31-18-17-29-25-32-26(40-2)34-27(33-25)41-3/h4-12,21,31,35H,13-19H2,1-3H3,(H,30,36)(H,29,32,33,34).
What are the key properties of N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide has a molecular weight of 599.71 g/mol, XLogP of 2.04, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]ethylsulfamoylamino]-1-phenylcyclohexyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 58842327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).