N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide

C20H26N2O3S2 — CID 71737582

IUPACN-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C20H26N2O3S2/c1-3-21(15-17-7-5-4-6-8-17)20(23)18-11-13-22(14-12-18)27(24,25)19-10-9-16(2)26-19/h4-10,18H,3,11-15H2,1-2H3
InChIKeyFANIRWMNZIQJJX-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.51
Rot. Bonds6

About N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide

N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 71737582) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
PubChem CID71737582
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C20H26N2O3S2/c1-3-21(15-17-7-5-4-6-8-17)20(23)18-11-13-22(14-12-18)27(24,25)19-10-9-16(2)26-19/h4-10,18H,3,11-15H2,1-2H3
InChIKeyFANIRWMNZIQJJX-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide (CID 71737582) is N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(C)s2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FANIRWMNZIQJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-3-21(15-17-7-5-4-6-8-17)20(23)18-11-13-22(14-12-18)27(24,25)19-10-9-16(2)26-19/h4-10,18H,3,11-15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide?
N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71737582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).