N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide

C18H22N2O3S — CID 9159203

IUPACN-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide
SMILESCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-14(21)19-13-18(15-9-11-16(12-10-15)20(2)3)24(22,23)17-7-5-4-6-8-17/h4-12,18H,13H2,1-3H3,(H,19,21)/t18-/m0/s1
InChIKeyXSTXGLADDUBQOD-SFHVURJKSA-N
MW346.45 g/mol
LogP2.40
Rot. Bonds6

About N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide

N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide (PubChem CID 9159203) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide
PubChem CID9159203
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide
SMILESCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-14(21)19-13-18(15-9-11-16(12-10-15)20(2)3)24(22,23)17-7-5-4-6-8-17/h4-12,18H,13H2,1-3H3,(H,19,21)/t18-/m0/s1
InChIKeyXSTXGLADDUBQOD-SFHVURJKSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 9159524
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-2-methylbenzamide
CID 9159352
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-2-methylbenzamide
CID 9159358
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-N'-cyclopropyloxamide
CID 9159516
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 9159292
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide
CID 9159372
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]pyridine-3-carboxamide
CID 9159404
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide
CID 9159185
N-[4-[1-[4-(dimethylamino)phenyl]-3-oxo-3-phenylpropyl]sulfonylphenyl]acetamide
CID 2942369
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
CID 9184545
3-chloro-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfonylethyl]propanamide
CID 9159629
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)sulfonylethyl]-N-methyloxamide
CID 9160093

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide?
The IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide (CID 9159203) is N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide?
The canonical SMILES for N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide is CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide?
The InChIKey is XSTXGLADDUBQOD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(21)19-13-18(15-9-11-16(12-10-15)20(2)3)24(22,23)17-7-5-4-6-8-17/h4-12,18H,13H2,1-3H3,(H,19,21)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide?
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]acetamide is sourced from PubChem (CID 9159203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).