2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide

C20H26ClN3O4S — CID 24980302

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
SMILESCN(CC(=O)NCC(c1ccco1)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H26ClN3O4S/c1-23(29(26,27)17-9-7-16(21)8-10-17)15-20(25)22-14-18(19-6-5-13-28-19)24-11-3-2-4-12-24/h5-10,13,18H,2-4,11-12,14-15H2,1H3,(H,22,25)
InChIKeyAZQBTAHTULTXBH-UHFFFAOYSA-N
MW439.97 g/mol
LogP2.90
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide (PubChem CID 24980302) has the molecular formula C20H26ClN3O4S and a molecular weight of 439.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
PubChem CID24980302
Molecular FormulaC20H26ClN3O4S
Molecular Weight439.97 g/mol
Exact Mass439.13
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
SMILESCN(CC(=O)NCC(c1ccco1)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H26ClN3O4S/c1-23(29(26,27)17-9-7-16(21)8-10-17)15-20(25)22-14-18(19-6-5-13-28-19)24-11-3-2-4-12-24/h5-10,13,18H,2-4,11-12,14-15H2,1H3,(H,22,25)
InChIKeyAZQBTAHTULTXBH-UHFFFAOYSA-N
XLogP2.90
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.97
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide (CID 24980302) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide is CN(CC(=O)NCC(c1ccco1)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
The InChIKey is AZQBTAHTULTXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O4S/c1-23(29(26,27)17-9-7-16(21)8-10-17)15-20(25)22-14-18(19-6-5-13-28-19)24-11-3-2-4-12-24/h5-10,13,18H,2-4,11-12,14-15H2,1H3,(H,22,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide has a molecular weight of 439.97 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide is sourced from PubChem (CID 24980302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).