N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide

C18H21NO3S — CID 9184545

IUPACN-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21NO3S/c1-14(2)18(20)19-13-17(15-9-5-3-6-10-15)23(21,22)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyDOIPSPWWYGFARW-KRWDZBQOSA-N
MW331.44 g/mol
LogP2.97
Rot. Bonds6

About N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide

N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide (PubChem CID 9184545) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
PubChem CID9184545
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21NO3S/c1-14(2)18(20)19-13-17(15-9-5-3-6-10-15)23(21,22)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyDOIPSPWWYGFARW-KRWDZBQOSA-N
XLogP2.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N'-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N-methyloxamide
CID 9185098
N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide
CID 9184686
N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-N'-[(2S)-butan-2-yl]oxamide
CID 9185186
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-3-phenylpropanamide
CID 9184966
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
CID 110315057
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 9159203
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]cyclohexanecarboxamide
CID 9184612
N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
CID 110315082
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-N'-[(2S)-butan-2-yl]oxamide
CID 9154240

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide?
The IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide (CID 9184545) is N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide?
The canonical SMILES for N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide is CC(C)C(=O)NC[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide?
The InChIKey is DOIPSPWWYGFARW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14(2)18(20)19-13-17(15-9-5-3-6-10-15)23(21,22)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide?
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide has a molecular weight of 331.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide is sourced from PubChem (CID 9184545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).