N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide

C24H31FN2O4S — CID 25041867

IUPACN-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NC2CCCC(C)C2C)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H31FN2O4S/c1-16-5-4-6-22(17(16)2)26-24(28)15-23(18-7-11-20(31-3)12-8-18)27-32(29,30)21-13-9-19(25)10-14-21/h7-14,16-17,22-23,27H,4-6,15H2,1-3H3,(H,26,28)
InChIKeyNIANTEWLSKUWGY-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.18
Rot. Bonds8

About N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide

N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide (PubChem CID 25041867) has the molecular formula C24H31FN2O4S and a molecular weight of 462.59 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide
PubChem CID25041867
Molecular FormulaC24H31FN2O4S
Molecular Weight462.59 g/mol
Exact Mass462.20
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NC2CCCC(C)C2C)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H31FN2O4S/c1-16-5-4-6-22(17(16)2)26-24(28)15-23(18-7-11-20(31-3)12-8-18)27-32(29,30)21-13-9-19(25)10-14-21/h7-14,16-17,22-23,27H,4-6,15H2,1-3H3,(H,26,28)
InChIKeyNIANTEWLSKUWGY-UHFFFAOYSA-N
XLogP4.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 11918196
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843322
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 56728673
methyl 7-(4-fluorophenyl)-7-[(4-methoxyphenyl)sulfonylamino]heptanoate
CID 139616866
3-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dimethylcyclohexyl)-4-methylpentanamide
CID 25047611
4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 92698423
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284425
(3R)-N-(4-fluorophenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784349
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 11917580
(3R)-3-(4-fluorophenyl)-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide;methane
CID 159812099

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide (CID 25041867) is N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)NC2CCCC(C)C2C)NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide?
The InChIKey is NIANTEWLSKUWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O4S/c1-16-5-4-6-22(17(16)2)26-24(28)15-23(18-7-11-20(31-3)12-8-18)27-32(29,30)21-13-9-19(25)10-14-21/h7-14,16-17,22-23,27H,4-6,15H2,1-3H3,(H,26,28).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide?
N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide has a molecular weight of 462.59 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3-[(4-fluorophenyl)sulfonylamino]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 25041867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).