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

C24H28N2O4S — CID 15991674

IUPACN-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12
InChIInChI=1S/C24H28N2O4S/c1-16-11-17(2)15-26(14-16)31(28,29)20-9-10-22-21(12-20)18(3)23(30-22)24(27)25-13-19-7-5-4-6-8-19/h4-10,12,16-17H,11,13-15H2,1-3H3,(H,25,27)
InChIKeyDNRXFINWYKFCPN-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.34
Rot. Bonds5

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

N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 15991674) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxamide
PubChem CID15991674
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC NameN-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12
InChIInChI=1S/C24H28N2O4S/c1-16-11-17(2)15-26(14-16)31(28,29)20-9-10-22-21(12-20)18(3)23(30-22)24(27)25-13-19-7-5-4-6-8-19/h4-10,12,16-17H,11,13-15H2,1-3H3,(H,25,27)
InChIKeyDNRXFINWYKFCPN-UHFFFAOYSA-N
XLogP4.34
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
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-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxamide (CID 15991674) is N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccccc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12.
What is the InChIKey of N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is DNRXFINWYKFCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-16-11-17(2)15-26(14-16)31(28,29)20-9-10-22-21(12-20)18(3)23(30-22)24(27)25-13-19-7-5-4-6-8-19/h4-10,12,16-17H,11,13-15H2,1-3H3,(H,25,27).
What are the key properties of N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxamide?
N-benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 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-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 15991674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).