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

C21H20N2O3S — CID 9153392

IUPACN-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20N2O3S/c1-16-7-5-8-17(13-16)21(24)23-15-20(18-9-6-12-22-14-18)27(25,26)19-10-3-2-4-11-19/h2-14,20H,15H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyILTJTMKTLUHYMJ-FQEVSTJZSA-N
MW380.47 g/mol
LogP3.34
Rot. Bonds6

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

N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide (PubChem CID 9153392) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
PubChem CID9153392
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20N2O3S/c1-16-7-5-8-17(13-16)21(24)23-15-20(18-9-6-12-22-14-18)27(25,26)19-10-3-2-4-11-19/h2-14,20H,15H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyILTJTMKTLUHYMJ-FQEVSTJZSA-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-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-(dimethylamino)benzamide
CID 42272406
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 9153385
N-[(2S)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-3-methylbenzamide
CID 9159372
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-fluorobenzamide
CID 9157535
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide
CID 9158507

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide?
The IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide (CID 9153392) is N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide?
The canonical SMILES for N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide is Cc1cccc(C(=O)NC[C@@H](c2cccnc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide?
The InChIKey is ILTJTMKTLUHYMJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-16-7-5-8-17(13-16)21(24)23-15-20(18-9-6-12-22-14-18)27(25,26)19-10-3-2-4-11-19/h2-14,20H,15H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide?
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-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-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide is sourced from PubChem (CID 9153392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).