(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide

C20H30N2O5S — CID 9332032

IUPAC(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H30N2O5S/c1-15-5-3-4-6-19(15)21-20(23)16(2)27-17-7-9-18(10-8-17)28(24,25)22-11-13-26-14-12-22/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,21,23)/t15-,16-,19+/m1/s1
InChIKeyKIZGOFYWLOYBCK-MDZRGWNJSA-N
MW410.54 g/mol
LogP2.17
Rot. Bonds6

About (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide

(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide (PubChem CID 9332032) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
PubChem CID9332032
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Name(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H30N2O5S/c1-15-5-3-4-6-19(15)21-20(23)16(2)27-17-7-9-18(10-8-17)28(24,25)22-11-13-26-14-12-22/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,21,23)/t15-,16-,19+/m1/s1
InChIKeyKIZGOFYWLOYBCK-MDZRGWNJSA-N
XLogP2.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide with MolForge

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Related Compounds

(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 11939287
(2R)-N-cyclopentyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332126
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 46788535
(2S)-N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 41094222
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 98869513
(2S)-N-carbamoyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332160
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 8664594
methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate
CID 9331081
[(2S)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 98605199
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 8746280
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 31432669
2-(4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42901999

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide (CID 9332032) is (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide is C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide?
The InChIKey is KIZGOFYWLOYBCK-MDZRGWNJSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-15-5-3-4-6-19(15)21-20(23)16(2)27-17-7-9-18(10-8-17)28(24,25)22-11-13-26-14-12-22/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,21,23)/t15-,16-,19+/m1/s1.
What are the key properties of (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide?
(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide has a molecular weight of 410.54 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide is sourced from PubChem (CID 9332032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).