N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide

C24H26N2O3S — CID 9159372

IUPACN-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3S/c1-18-8-7-9-20(16-18)24(27)25-17-23(19-12-14-21(15-13-19)26(2)3)30(28,29)22-10-5-4-6-11-22/h4-16,23H,17H2,1-3H3,(H,25,27)/t23-/m1/s1
InChIKeyDULDYWVNRGEFCU-HSZRJFAPSA-N
MW422.55 g/mol
LogP4.01
Rot. Bonds7

About N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide

N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide (PubChem CID 9159372) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide
PubChem CID9159372
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3S/c1-18-8-7-9-20(16-18)24(27)25-17-23(19-12-14-21(15-13-19)26(2)3)30(28,29)22-10-5-4-6-11-22/h4-16,23H,17H2,1-3H3,(H,25,27)/t23-/m1/s1
InChIKeyDULDYWVNRGEFCU-HSZRJFAPSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.01
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-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]pyridine-3-carboxamide
CID 9159404
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]acetamide
CID 9159203
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
CID 9153392
N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide
CID 9184686
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide
CID 42272406
[(1R)-1-[4-(dimethylamino)phenyl]-2-[(3-methylbenzoyl)amino]ethyl]-dimethylazanium
CID 7496063
N'-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 9159524
3-methyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181313
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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide (CID 9159372) is N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide?
The InChIKey is DULDYWVNRGEFCU-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18-8-7-9-20(16-18)24(27)25-17-23(19-12-14-21(15-13-19)26(2)3)30(28,29)22-10-5-4-6-11-22/h4-16,23H,17H2,1-3H3,(H,25,27)/t23-/m1/s1.
What are the key properties of N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide?
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide has a molecular weight of 422.55 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 9159372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).