2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide

C18H21ClN2O4S — CID 16836984

IUPAC2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1
InChIInChI=1S/C18H21ClN2O4S/c19-14-6-8-17(9-7-14)26(23,24)21-10-2-1-4-15(21)12-18(22)20-13-16-5-3-11-25-16/h3,5-9,11,15H,1-2,4,10,12-13H2,(H,20,22)
InChIKeyANQFSDIDZOYXDO-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.18
Rot. Bonds6

About 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide

2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 16836984) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID16836984
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1
InChIInChI=1S/C18H21ClN2O4S/c19-14-6-8-17(9-7-14)26(23,24)21-10-2-1-4-15(21)12-18(22)20-13-16-5-3-11-25-16/h3,5-9,11,15H,1-2,4,10,12-13H2,(H,20,22)
InChIKeyANQFSDIDZOYXDO-UHFFFAOYSA-N
XLogP3.18
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1084870
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 26562249
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-phenylacetamide
CID 26562308
3-amino-N-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584695
N-[(2-chlorophenyl)methyl]-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562457
2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26562300
1-(4-fluorophenyl)sulfonyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 24625238
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 16826819
2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26562263
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42065143
2-[(2R)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 26562331
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide (CID 16836984) is 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CC1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ANQFSDIDZOYXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c19-14-6-8-17(9-7-14)26(23,24)21-10-2-1-4-15(21)12-18(22)20-13-16-5-3-11-25-16/h3,5-9,11,15H,1-2,4,10,12-13H2,(H,20,22).
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide?
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 396.90 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 16836984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).