N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide

C21H20N2O3S — CID 9153385

IUPACN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-16-8-5-6-12-19(16)21(24)23-15-20(17-9-7-13-22-14-17)27(25,26)18-10-3-2-4-11-18/h2-14,20H,15H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyKVMPNLVMYMHAJF-HXUWFJFHSA-N
MW380.47 g/mol
LogP3.34
Rot. Bonds6

About N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide

N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide (PubChem CID 9153385) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
PubChem CID9153385
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-16-8-5-6-12-19(16)21(24)23-15-20(17-9-7-13-22-14-17)27(25,26)18-10-3-2-4-11-18/h2-14,20H,15H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyKVMPNLVMYMHAJF-HXUWFJFHSA-N
XLogP3.34
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 38997835
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
CID 9153392
2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155660
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide
CID 21002101
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-2-methylbenzamide
CID 9159358
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
N-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-2-methylbenzamide
CID 9159352
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9154878

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide?
The IUPAC name of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide (CID 9153385) is N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide?
The canonical SMILES for N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide?
The InChIKey is KVMPNLVMYMHAJF-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-16-8-5-6-12-19(16)21(24)23-15-20(17-9-7-13-22-14-17)27(25,26)18-10-3-2-4-11-18/h2-14,20H,15H2,1H3,(H,23,24)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide?
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide has a molecular weight of 380.47 g/mol, XLogP of 3.34, 6 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-pyridin-3-ylethyl]-2-methylbenzamide is sourced from PubChem (CID 9153385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).