N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

C19H27FN2O3S — CID 124743858

IUPACN-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O3S/c1-22(26(24,25)18-10-7-16(20)8-11-18)13-19(23)21-17-9-6-14-4-2-3-5-15(14)12-17/h7-8,10-11,14-15,17H,2-6,9,12-13H2,1H3,(H,21,23)/t14-,15-,17+/m0/s1
InChIKeyZFRDOOZVMDEQHL-YQQAZPJKSA-N
MW382.50 g/mol
LogP2.92
Rot. Bonds5

About N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 124743858) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID124743858
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC NameN-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O3S/c1-22(26(24,25)18-10-7-16(20)8-11-18)13-19(23)21-17-9-6-14-4-2-3-5-15(14)12-17/h7-8,10-11,14-15,17H,2-6,9,12-13H2,1H3,(H,21,23)/t14-,15-,17+/m0/s1
InChIKeyZFRDOOZVMDEQHL-YQQAZPJKSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide with MolForge

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Related Compounds

tert-butyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]piperidine-1-carboxylate
CID 55984259
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CID 18133694
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
N-cyclopropyl-2-[methyl-[4-(trifluoromethylsulfanyl)phenyl]sulfonylamino]acetamide
CID 47079939
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide
CID 120600077
N-cyclohexyl-4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-3-methylbenzamide
CID 55879550
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 55517214
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55961219

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 124743858) is N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is ZFRDOOZVMDEQHL-YQQAZPJKSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c1-22(26(24,25)18-10-7-16(20)8-11-18)13-19(23)21-17-9-6-14-4-2-3-5-15(14)12-17/h7-8,10-11,14-15,17H,2-6,9,12-13H2,1H3,(H,21,23)/t14-,15-,17+/m0/s1.
What are the key properties of N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 382.50 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 124743858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).