N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide

C24H26N2O3S — CID 9158507

IUPACN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C)c(C)c2)c2cccnc2)c1
InChIInChI=1S/C24H26N2O3S/c1-16-7-8-18(3)22(12-16)30(28,29)23(21-6-5-11-25-14-21)15-26-24(27)20-10-9-17(2)19(4)13-20/h5-14,23H,15H2,1-4H3,(H,26,27)/t23-/m0/s1
InChIKeyGCJXVSMPPHUKEP-QHCPKHFHSA-N
MW422.55 g/mol
LogP4.26
Rot. Bonds6

About N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide

N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide (PubChem CID 9158507) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide
PubChem CID9158507
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C)c(C)c2)c2cccnc2)c1
InChIInChI=1S/C24H26N2O3S/c1-16-7-8-18(3)22(12-16)30(28,29)23(21-6-5-11-25-14-21)15-26-24(27)20-10-9-17(2)19(4)13-20/h5-14,23H,15H2,1-4H3,(H,26,27)/t23-/m0/s1
InChIKeyGCJXVSMPPHUKEP-QHCPKHFHSA-N
XLogP4.26
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 9158318
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9158355
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9158549
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3,4-dimethylbenzamide
CID 9162211
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-fluorobenzamide
CID 9157535
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-3-methylbenzamide
CID 9153392
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9158307
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 9157462
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide
CID 9157485
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002100

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide (CID 9158507) is N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide is Cc1ccc(C)c(S(=O)(=O)[C@@H](CNC(=O)c2ccc(C)c(C)c2)c2cccnc2)c1.
What is the InChIKey of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide?
The InChIKey is GCJXVSMPPHUKEP-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-16-7-8-18(3)22(12-16)30(28,29)23(21-6-5-11-25-14-21)15-26-24(27)20-10-9-17(2)19(4)13-20/h5-14,23H,15H2,1-4H3,(H,26,27)/t23-/m0/s1.
What are the key properties of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide?
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide has a molecular weight of 422.55 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 9158507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).