3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide

C16H22Cl2N2O3S — CID 113137508

IUPAC3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H22Cl2N2O3S/c1-24(22,23)20(15-5-3-2-4-6-15)8-7-16(21)19-14-10-12(17)9-13(18)11-14/h9-11,15H,2-8H2,1H3,(H,19,21)
InChIKeyVKQVRGBBHMXSPR-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.92
Rot. Bonds6

About 3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide

3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide (PubChem CID 113137508) has the molecular formula C16H22Cl2N2O3S and a molecular weight of 393.34 g/mol. Its IUPAC name is 3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide
PubChem CID113137508
Molecular FormulaC16H22Cl2N2O3S
Molecular Weight393.34 g/mol
Exact Mass392.07
IUPAC Name3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C16H22Cl2N2O3S/c1-24(22,23)20(15-5-3-2-4-6-15)8-7-16(21)19-14-10-12(17)9-13(18)11-14/h9-11,15H,2-8H2,1H3,(H,19,21)
InChIKeyVKQVRGBBHMXSPR-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[cyclopentyl(methylsulfonyl)amino]propanamide
CID 113137304
3-[cycloheptyl(methylsulfonyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113141075
N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137489
N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137514
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(3,5-dichlorophenyl)acetamide
CID 126371813
N-(3,5-dichlorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138221
N-[(4-chlorophenyl)methyl]-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113140992
3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113136332
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136363
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136418
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136419
3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
CID 113136334

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of 3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide (CID 113137508) is 3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide is CS(=O)(=O)N(CCC(=O)Nc1cc(Cl)cc(Cl)c1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is VKQVRGBBHMXSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3S/c1-24(22,23)20(15-5-3-2-4-6-15)8-7-16(21)19-14-10-12(17)9-13(18)11-14/h9-11,15H,2-8H2,1H3,(H,19,21).
What are the key properties of 3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide?
3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide has a molecular weight of 393.34 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methylsulfonyl)amino]-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 113137508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).