N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

C20H25N3O5S — CID 9080360

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccco2)c1
InChIInChI=1S/C20H25N3O5S/c1-15-6-2-3-10-23(15)29(26,27)18-9-4-7-16(12-18)20(25)22-14-19(24)21-13-17-8-5-11-28-17/h4-5,7-9,11-12,15H,2-3,6,10,13-14H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyUFHHGNSTMRFVNG-OAHLLOKOSA-N
MW419.50 g/mol
LogP1.89
Rot. Bonds7

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 9080360) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID9080360
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccco2)c1
InChIInChI=1S/C20H25N3O5S/c1-15-6-2-3-10-23(15)29(26,27)18-9-4-7-16(12-18)20(25)22-14-19(24)21-13-17-8-5-11-28-17/h4-5,7-9,11-12,15H,2-3,6,10,13-14H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyUFHHGNSTMRFVNG-OAHLLOKOSA-N
XLogP1.89
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpiperidin-1-yl)sulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 146122746
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
N-(furan-2-ylmethyl)-3-(2-methylpiperidin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55452872
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 86950492
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463606
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55707761
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343621
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 11932722
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide (CID 9080360) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide is C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccco2)c1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is UFHHGNSTMRFVNG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-15-6-2-3-10-23(15)29(26,27)18-9-4-7-16(12-18)20(25)22-14-19(24)21-13-17-8-5-11-28-17/h4-5,7-9,11-12,15H,2-3,6,10,13-14H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1.
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 419.50 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 9080360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).