N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C22H28N2O3S — CID 99883074

IUPACN-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCN2c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17(2)28(26,27)21-12-10-18(11-13-21)15-22(25)23-16-20-9-6-14-24(20)19-7-4-3-5-8-19/h3-5,7-8,10-13,17,20H,6,9,14-16H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyHMODVIUXVXYIPL-HXUWFJFHSA-N
MW400.54 g/mol
LogP3.20
Rot. Bonds7

About N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 99883074) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID99883074
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCN2c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17(2)28(26,27)21-12-10-18(11-13-21)15-22(25)23-16-20-9-6-14-24(20)19-7-4-3-5-8-19/h3-5,7-8,10-13,17,20H,6,9,14-16H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyHMODVIUXVXYIPL-HXUWFJFHSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883040
3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883089
N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide
CID 90619970
2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
3-(2-bromophenyl)-N-[(1-phenylpyrrolidin-2-yl)methyl]propanamide
CID 72719282
1-[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 90585691
2-phenyl-N-[[(2S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methyl]acetamide;2,2,2-trifluoroacetaldehyde
CID 161121216
2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619767
N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide
CID 90619775
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 99883074) is N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCN2c2ccccc2)cc1.
What is the InChIKey of N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is HMODVIUXVXYIPL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17(2)28(26,27)21-12-10-18(11-13-21)15-22(25)23-16-20-9-6-14-24(20)19-7-4-3-5-8-19/h3-5,7-8,10-13,17,20H,6,9,14-16H2,1-2H3,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 400.54 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 99883074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).