2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C20H25N3O5S2 — CID 1228113

IUPAC2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O5S2/c1-22(29(2,25)26)19-9-5-4-8-18(19)20(24)21-16-10-12-17(13-11-16)30(27,28)23-14-6-3-7-15-23/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,21,24)
InChIKeyWMMQKHOYQUOGHM-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.51
Rot. Bonds6

About 2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 1228113) has the molecular formula C20H25N3O5S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID1228113
Molecular FormulaC20H25N3O5S2
Molecular Weight451.57 g/mol
Exact Mass451.12
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O5S2/c1-22(29(2,25)26)19-9-5-4-8-18(19)20(24)21-16-10-12-17(13-11-16)30(27,28)23-14-6-3-7-15-23/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,21,24)
InChIKeyWMMQKHOYQUOGHM-UHFFFAOYSA-N
XLogP2.51
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 1228113) is 2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is WMMQKHOYQUOGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S2/c1-22(29(2,25)26)19-9-5-4-8-18(19)20(24)21-16-10-12-17(13-11-16)30(27,28)23-14-6-3-7-15-23/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,21,24).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 451.57 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1228113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).