(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide

C20H31NO3S — CID 51724645

IUPAC(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide
SMILESCC(C)c1ccc(CS(=O)(=O)[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1
InChIInChI=1S/C20H31NO3S/c1-14(2)18-11-9-17(10-12-18)13-25(23,24)16(4)20(22)21-19-8-6-5-7-15(19)3/h9-12,14-16,19H,5-8,13H2,1-4H3,(H,21,22)/t15-,16-,19+/m1/s1
InChIKeyIGMHLPMTXYZCKY-MDZRGWNJSA-N
MW365.54 g/mol
LogP3.81
Rot. Bonds6

About (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide

(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide (PubChem CID 51724645) has the molecular formula C20H31NO3S and a molecular weight of 365.54 g/mol. Its IUPAC name is (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide
PubChem CID51724645
Molecular FormulaC20H31NO3S
Molecular Weight365.54 g/mol
Exact Mass365.20
IUPAC Name(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide
SMILESCC(C)c1ccc(CS(=O)(=O)[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1
InChIInChI=1S/C20H31NO3S/c1-14(2)18-11-9-17(10-12-18)13-25(23,24)16(4)20(22)21-19-8-6-5-7-15(19)3/h9-12,14-16,19H,5-8,13H2,1-4H3,(H,21,22)/t15-,16-,19+/m1/s1
InChIKeyIGMHLPMTXYZCKY-MDZRGWNJSA-N
XLogP3.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide with MolForge

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Related Compounds

2-[(4-cyanophenyl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
CID 138050387
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methylcyclohexyl)propanamide
CID 78876876
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7753083
2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 11920859
2-(4-aminophenyl)-N-(2-methylcyclohexyl)acetamide;hydrochloride
CID 119676478
(2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 9318759
(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
CID 96532946
2-[(2-chloroacetyl)-[2-(4-chlorophenyl)ethyl]amino]-2-(4-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 86809761
[(2S)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 124772162
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8613214

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide?
The IUPAC name of (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide (CID 51724645) is (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide is CC(C)c1ccc(CS(=O)(=O)[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1.
What is the InChIKey of (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide?
The InChIKey is IGMHLPMTXYZCKY-MDZRGWNJSA-N. The full InChI is InChI=1S/C20H31NO3S/c1-14(2)18-11-9-17(10-12-18)13-25(23,24)16(4)20(22)21-19-8-6-5-7-15(19)3/h9-12,14-16,19H,5-8,13H2,1-4H3,(H,21,22)/t15-,16-,19+/m1/s1.
What are the key properties of (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide?
(2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide has a molecular weight of 365.54 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-propan-2-ylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 51724645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).