2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide

C20H26N2O3S — CID 74241235

IUPAC2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1ccc(CS(C)(=O)=O)cn1)C(C)C
InChIInChI=1S/C20H26N2O3S/c1-14(2)22(15(3)4)20(23)18-9-7-6-8-17(18)19-11-10-16(12-21-19)13-26(5,24)25/h6-12,14-15H,13H2,1-5H3
InChIKeyRNDUIIZUJRRNGH-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.55
Rot. Bonds6

About 2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide

2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 74241235) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide
PubChem CID74241235
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1ccc(CS(C)(=O)=O)cn1)C(C)C
InChIInChI=1S/C20H26N2O3S/c1-14(2)22(15(3)4)20(23)18-9-7-6-8-17(18)19-11-10-16(12-21-19)13-26(5,24)25/h6-12,14-15H,13H2,1-5H3
InChIKeyRNDUIIZUJRRNGH-UHFFFAOYSA-N
XLogP3.55
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide (CID 74241235) is 2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccccc1-c1ccc(CS(C)(=O)=O)cn1)C(C)C.
What is the InChIKey of 2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is RNDUIIZUJRRNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14(2)22(15(3)4)20(23)18-9-7-6-8-17(18)19-11-10-16(12-21-19)13-26(5,24)25/h6-12,14-15H,13H2,1-5H3.
What are the key properties of 2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide?
2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylsulfonylmethyl)-2-pyridinyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 74241235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).