4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide

C23H28ClN3O4S — CID 90892860

IUPAC4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CN(C2CCCC[C@H]2C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H28ClN3O4S/c1-2-26-23(29)17-9-7-16(8-10-17)15-27(21-6-4-3-5-20(21)22(25)28)32(30,31)19-13-11-18(24)12-14-19/h7-14,20-21H,2-6,15H2,1H3,(H2,25,28)(H,26,29)/t20-,21?/m1/s1
InChIKeyODWJTWBTXBEVSH-VQCQRNETSA-N
MW478.01 g/mol
LogP3.32
Rot. Bonds8

About 4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide

4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide (PubChem CID 90892860) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide
PubChem CID90892860
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CN(C2CCCC[C@H]2C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H28ClN3O4S/c1-2-26-23(29)17-9-7-16(8-10-17)15-27(21-6-4-3-5-20(21)22(25)28)32(30,31)19-13-11-18(24)12-14-19/h7-14,20-21H,2-6,15H2,1H3,(H2,25,28)(H,26,29)/t20-,21?/m1/s1
InChIKeyODWJTWBTXBEVSH-VQCQRNETSA-N
XLogP3.32
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide
CID 11419902
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4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78107818
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CID 67197328
4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(4-hydroxy-3-methyl-3-sulfanylbutan-2-yl)benzamide
CID 123159465
4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]methyl]-N-propan-2-ylbenzamide
CID 54583683
N-[(5-chloro-2-methylphenyl)methyl]-4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]methyl]benzamide
CID 67195815
4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]methyl]-N-[(2,6-dichlorophenyl)methyl]benzamide
CID 67196492
4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]benzamide
CID 18455227
4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]methyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 67192929
4-[[(4-chlorophenyl)sulfonyl-[(3R)-2-oxoazepan-3-yl]amino]methyl]-N-[(3,4-dichlorophenyl)methyl]benzamide
CID 67196377
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Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide?
The IUPAC name of 4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide (CID 90892860) is 4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide?
The canonical SMILES for 4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide is CCNC(=O)c1ccc(CN(C2CCCC[C@H]2C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide?
The InChIKey is ODWJTWBTXBEVSH-VQCQRNETSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-2-26-23(29)17-9-7-16(8-10-17)15-27(21-6-4-3-5-20(21)22(25)28)32(30,31)19-13-11-18(24)12-14-19/h7-14,20-21H,2-6,15H2,1H3,(H2,25,28)(H,26,29)/t20-,21?/m1/s1.
What are the key properties of 4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide?
4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide has a molecular weight of 478.01 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-2-carbamoylcyclohexyl]-(4-chlorophenyl)sulfonylamino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 90892860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).