2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide

C25H28N2O2S — CID 10342105

IUPAC2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cccnc1S(=O)Cc1ccccc1
InChIInChI=1S/C25H28N2O2S/c1-17(2)20-12-8-13-21(18(3)4)23(20)27-24(28)22-14-9-15-26-25(22)30(29)16-19-10-6-5-7-11-19/h5-15,17-18H,16H2,1-4H3,(H,27,28)
InChIKeyFIDSPKGDVQUNTJ-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.89
Rot. Bonds7

About 2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide

2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 10342105) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is 2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID10342105
Molecular FormulaC25H28N2O2S
Molecular Weight420.58 g/mol
Exact Mass420.19
IUPAC Name2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cccnc1S(=O)Cc1ccccc1
InChIInChI=1S/C25H28N2O2S/c1-17(2)20-12-8-13-21(18(3)4)23(20)27-24(28)22-14-9-15-26-25(22)30(29)16-19-10-6-5-7-11-19/h5-15,17-18H,16H2,1-4H3,(H,27,28)
InChIKeyFIDSPKGDVQUNTJ-UHFFFAOYSA-N
XLogP5.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide 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

2-benzylsulfinyl-N-(4-iodophenyl)pyridine-3-carboxamide
CID 10411994
N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 8778786
2-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 4106952
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridine-3-carboxylate
CID 17439018
1-[2,6-di(propan-2-yl)phenyl]-3-(2-phenyl-2-pyrrolo[2,3-b]pyridin-1-ylethyl)urea
CID 15222556
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethoxy]benzamide
CID 8008131
1-[2,6-di(propan-2-yl)phenyl]-3-(pyridin-2-ylmethyl)thiourea
CID 134113662
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 60547417

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide (CID 10342105) is 2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1cccnc1S(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is FIDSPKGDVQUNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-17(2)20-12-8-13-21(18(3)4)23(20)27-24(28)22-14-9-15-26-25(22)30(29)16-19-10-6-5-7-11-19/h5-15,17-18H,16H2,1-4H3,(H,27,28).
What are the key properties of 2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide?
2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10342105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).