2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide

C23H24N2O3S2 — CID 24655053

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C23H24N2O3S2/c1-15-7-10-19(14-16(15)2)29-23-21(6-5-13-24-23)22(26)25-17(3)18-8-11-20(12-9-18)30(4,27)28/h5-14,17H,1-4H3,(H,25,26)
InChIKeyPDLZVVUSKBOLHV-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.74
Rot. Bonds6

About 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide

2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 24655053) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID24655053
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C23H24N2O3S2/c1-15-7-10-19(14-16(15)2)29-23-21(6-5-13-24-23)22(26)25-17(3)18-8-11-20(12-9-18)30(4,27)28/h5-14,17H,1-4H3,(H,25,26)
InChIKeyPDLZVVUSKBOLHV-UHFFFAOYSA-N
XLogP4.74
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenyl)sulfanyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 18161224
3-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 51247309
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[1-(3,4-dimethylphenyl)ethyl]pyridine-3-carboxamide
CID 25221747
2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401935
3-amino-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401938
3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 51247083
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate
CID 7790591
2-(3,4-dimethylphenyl)sulfanyl-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 38536076
2-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 55602031
2-(3,4-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 134037313
4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide
CID 133165871

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide (CID 24655053) is 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is PDLZVVUSKBOLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-15-7-10-19(14-16(15)2)29-23-21(6-5-13-24-23)22(26)25-17(3)18-8-11-20(12-9-18)30(4,27)28/h5-14,17H,1-4H3,(H,25,26).
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide?
2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 24655053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).