3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide

C23H28ClN3O5S — CID 59335391

IUPAC3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
SMILES[2H]c1c([2H])c(OC)c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])cc2)c([2H])c1Cl
InChIInChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)/i2D2,3D2,4D2,5D2,6D2,9D,12D,15D,18D
InChIKeyZNNLBTZKUZBEKO-IKSIFTQCSA-N
MW508.10 g/mol
LogP3.64
Rot. Bonds8

About 3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide

3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide (PubChem CID 59335391) has the molecular formula C23H28ClN3O5S and a molecular weight of 508.10 g/mol. Its IUPAC name is 3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
PubChem CID59335391
Molecular FormulaC23H28ClN3O5S
Molecular Weight508.10 g/mol
Exact Mass507.23
IUPAC Name3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
SMILES[2H]c1c([2H])c(OC)c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])cc2)c([2H])c1Cl
InChIInChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)/i2D2,3D2,4D2,5D2,6D2,9D,12D,15D,18D
InChIKeyZNNLBTZKUZBEKO-IKSIFTQCSA-N
XLogP3.64
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.10
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide 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

5-chloro-N-[2-[4-[(1,3,3,4,4,5,5-heptadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide;5-chloro-2-methoxy-N-[2-[4-[(1,2,2,6,6-pentadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
CID 159796325
5-chloro-2-methoxy-N-[2-[4-[(3,3,4,5,5-pentadeuterio-4-hydroxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide
CID 171391674
cerium;5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
CID 88767103
5-chloro-N-[2-[4-[(4-hydroxycyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide
CID 3082214
propan-2-yl N-[4-[2-[(4-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
CID 70623670
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide
CID 44567440
5-chloro-N-[2-[4-[[(1S,3R)-3-hydroxycyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-2-(trideuterio(113C)methoxy)benzamide
CID 46781811
5-chloro-N-[2-[4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide
CID 167704694
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
5-chloro-N-[2-[4-[[N-cyclohexyl-C-(nitromethyl)carbonimidoyl]sulfamoyl]phenyl]ethyl]-2-methoxybenzamide
CID 90846686
N-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 162398078
5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide;3,8,9-trihydroxybenzo[c]chromen-6-one
CID 91754689

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide?
The IUPAC name of 3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide (CID 59335391) is 3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide?
The canonical SMILES for 3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide is [2H]c1c([2H])c(OC)c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])cc2)c([2H])c1Cl.
What is the InChIKey of 3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide?
The InChIKey is ZNNLBTZKUZBEKO-IKSIFTQCSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)/i2D2,3D2,4D2,5D2,6D2,9D,12D,15D,18D.
What are the key properties of 3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide?
3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide has a molecular weight of 508.10 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4,5-trideuterio-6-methoxy-N-[2-[4-[(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 59335391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).