2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide

C24H29ClN2O4S — CID 66910686

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H29ClN2O4S/c1-24(2,31-21-10-4-16(25)5-11-21)23(28)26-17-14-19-6-7-20(15-17)27(19)18-8-12-22(13-9-18)32(3,29)30/h4-5,8-13,17,19-20H,6-7,14-15H2,1-3H3,(H,26,28)/t17?,19-,20+
InChIKeyZODOPIZJKYKNMX-CTXDPNEZSA-N
MW477.03 g/mol
LogP4.22
Rot. Bonds6

About 2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide (PubChem CID 66910686) has the molecular formula C24H29ClN2O4S and a molecular weight of 477.03 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide
PubChem CID66910686
Molecular FormulaC24H29ClN2O4S
Molecular Weight477.03 g/mol
Exact Mass476.15
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H29ClN2O4S/c1-24(2,31-21-10-4-16(25)5-11-21)23(28)26-17-14-19-6-7-20(15-17)27(19)18-8-12-22(13-9-18)32(3,29)30/h4-5,8-13,17,19-20H,6-7,14-15H2,1-3H3,(H,26,28)/t17?,19-,20+
InChIKeyZODOPIZJKYKNMX-CTXDPNEZSA-N
XLogP4.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.03
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide 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

2-(2,6-dichloro-4-fluorophenoxy)-2-methyl-N-[(1S,5R)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide
CID 66910554
2-(2,4-dichlorophenoxy)-2-methyl-N-[(1S,5R)-8-(6-methylsulfonyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide
CID 67276474
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236105
2-[4-chloro-2-(difluoromethyl)phenoxy]-2-methyl-N-[(1S,5R)-8-(5-methylsulfonyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide
CID 67275856
4-[(1S,5R)-3-[[2-(4-chloro-3-fluorophenoxy)-2-methylpropanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 66910649
8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106091
2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 142457496
6-[(1S,5R)-3-[[2-(3-chloro-4-fluorophenoxy)-2-methylpropanoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 66910534
2-(4-fluorophenoxy)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 86923726
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxylic acid
CID 11545617
2-(4-chlorophenoxy)-2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 142457657
2-(3,4-difluorophenoxy)-N-[(3R,4R)-3-fluoro-1-(4-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-2-methylpropanamide
CID 142457971

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide (CID 66910686) is 2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide?
The InChIKey is ZODOPIZJKYKNMX-CTXDPNEZSA-N. The full InChI is InChI=1S/C24H29ClN2O4S/c1-24(2,31-21-10-4-16(25)5-11-21)23(28)26-17-14-19-6-7-20(15-17)27(19)18-8-12-22(13-9-18)32(3,29)30/h4-5,8-13,17,19-20H,6-7,14-15H2,1-3H3,(H,26,28)/t17?,19-,20+.
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide has a molecular weight of 477.03 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[(1R,5S)-8-(4-methylsulfonylphenyl)-8-azabicyclo[3.2.1]octan-3-yl]propanamide is sourced from PubChem (CID 66910686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).