(2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide

C24H26N2O4S — CID 100648028

IUPAC(2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide
SMILESCC(=O)N[C@@](C)(C(=O)N[C@H](C)c1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H26N2O4S/c1-16(19-10-9-18-7-5-6-8-20(18)15-19)25-23(28)24(3,26-17(2)27)21-11-13-22(14-12-21)31(4,29)30/h5-16H,1-4H3,(H,25,28)(H,26,27)/t16-,24-/m1/s1
InChIKeyXGNGGESYVQMALG-VOIUYBSRSA-N
MW438.55 g/mol
LogP3.47
Rot. Bonds6

About (2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide

(2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide (PubChem CID 100648028) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is (2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide
PubChem CID100648028
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name(2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide
SMILESCC(=O)N[C@@](C)(C(=O)N[C@H](C)c1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H26N2O4S/c1-16(19-10-9-18-7-5-6-8-20(18)15-19)25-23(28)24(3,26-17(2)27)21-11-13-22(14-12-21)31(4,29)30/h5-16H,1-4H3,(H,25,28)(H,26,27)/t16-,24-/m1/s1
InChIKeyXGNGGESYVQMALG-VOIUYBSRSA-N
XLogP3.47
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26468178
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235
4-(methylsulfamoyl)-N-(1-naphthalen-2-ylethyl)benzamide
CID 51220036
2-acetamido-N-(2-tert-butylsulfanylethyl)-2-(4-methylsulfonylphenyl)propanamide
CID 146091055
2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide
CID 14695780
N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3856881
N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918
3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
CID 145167026
2,2-dimethyl-N-[3-(1-naphthalen-2-ylethylamino)-3-oxopropyl]propanamide
CID 18155146
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide?
The IUPAC name of (2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide (CID 100648028) is (2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide.
What is the SMILES notation for (2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide?
The canonical SMILES for (2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide is CC(=O)N[C@@](C)(C(=O)N[C@H](C)c1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide?
The InChIKey is XGNGGESYVQMALG-VOIUYBSRSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-16(19-10-9-18-7-5-6-8-20(18)15-19)25-23(28)24(3,26-17(2)27)21-11-13-22(14-12-21)31(4,29)30/h5-16H,1-4H3,(H,25,28)(H,26,27)/t16-,24-/m1/s1.
What are the key properties of (2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide?
(2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide has a molecular weight of 438.55 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide is sourced from PubChem (CID 100648028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).