N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide

C20H27N3O4S — CID 55332159

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCN(C)C(CNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccco1
InChIInChI=1S/C20H27N3O4S/c1-22(2)18(19-10-7-13-27-19)15-21-20(24)16-8-6-9-17(14-16)28(25,26)23-11-4-3-5-12-23/h6-10,13-14,18H,3-5,11-12,15H2,1-2H3,(H,21,24)
InChIKeyGOAANCNVPKWEJA-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.49
Rot. Bonds7

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55332159) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55332159
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCN(C)C(CNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccco1
InChIInChI=1S/C20H27N3O4S/c1-22(2)18(19-10-7-13-27-19)15-21-20(24)16-8-6-9-17(14-16)28(25,26)23-11-4-3-5-12-23/h6-10,13-14,18H,3-5,11-12,15H2,1-2H3,(H,21,24)
InChIKeyGOAANCNVPKWEJA-UHFFFAOYSA-N
XLogP2.49
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86781822
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 8501899
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8794882
3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25496186
3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24981861
N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9302186
3-(azepan-1-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120651231
N-(3-amino-2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119996017
N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55614572
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
CID 51145107
3-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 61250548
4-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 51889196

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide (CID 55332159) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide is CN(C)C(CNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is GOAANCNVPKWEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-22(2)18(19-10-7-13-27-19)15-21-20(24)16-8-6-9-17(14-16)28(25,26)23-11-4-3-5-12-23/h6-10,13-14,18H,3-5,11-12,15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 405.52 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55332159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).