N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide

C25H30N2O4S — CID 11496202

IUPACN-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12
InChIInChI=1S/C25H30N2O4S/c1-17-12-18(2)15-27(14-17)32(29,30)21-10-11-23-22(13-21)19(3)24(31-23)25(28)26(4)16-20-8-6-5-7-9-20/h5-11,13,17-18H,12,14-16H2,1-4H3
InChIKeyZJEVPGYPMMBXFI-UHFFFAOYSA-N
MW454.59 g/mol
LogP4.68
Rot. Bonds5

About N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide

N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 11496202) has the molecular formula C25H30N2O4S and a molecular weight of 454.59 g/mol. Its IUPAC name is N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID11496202
Molecular FormulaC25H30N2O4S
Molecular Weight454.59 g/mol
Exact Mass454.19
IUPAC NameN-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12
InChIInChI=1S/C25H30N2O4S/c1-17-12-18(2)15-27(14-17)32(29,30)21-10-11-23-22(13-21)19(3)24(31-23)25(28)26(4)16-20-8-6-5-7-9-20/h5-11,13,17-18H,12,14-16H2,1-4H3
InChIKeyZJEVPGYPMMBXFI-UHFFFAOYSA-N
XLogP4.68
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 11496202) is N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)Cc2ccccc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12.
What is the InChIKey of N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is ZJEVPGYPMMBXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S/c1-17-12-18(2)15-27(14-17)32(29,30)21-10-11-23-22(13-21)19(3)24(31-23)25(28)26(4)16-20-8-6-5-7-9-20/h5-11,13,17-18H,12,14-16H2,1-4H3.
What are the key properties of N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide?
N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 454.59 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 11496202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).