N-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide

C19H21NO3S — CID 126812633

IUPACN-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide
SMILESCN(C(=O)C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H21NO3S/c1-20(17-10-6-7-11-18(17)24(2,22)23)19(21)13-15-12-16(15)14-8-4-3-5-9-14/h3-11,15-16H,12-13H2,1-2H3/t15-,16-/m0/s1
InChIKeyYEPJMSIDFGHSEF-HOTGVXAUSA-N
MW343.45 g/mol
LogP3.25
Rot. Bonds5

About N-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide

N-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide (PubChem CID 126812633) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide
PubChem CID126812633
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide
SMILESCN(C(=O)C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H21NO3S/c1-20(17-10-6-7-11-18(17)24(2,22)23)19(21)13-15-12-16(15)14-8-4-3-5-9-14/h3-11,15-16H,12-13H2,1-2H3/t15-,16-/m0/s1
InChIKeyYEPJMSIDFGHSEF-HOTGVXAUSA-N
XLogP3.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide (CID 126812633) is N-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide is CN(C(=O)C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide?
The InChIKey is YEPJMSIDFGHSEF-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-20(17-10-6-7-11-18(17)24(2,22)23)19(21)13-15-12-16(15)14-8-4-3-5-9-14/h3-11,15-16H,12-13H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of N-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide?
N-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylphenyl)-2-[(1S,2R)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 126812633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).