2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide

C19H23ClFN3O3S2 — CID 55961079

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESCN(CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C19H23ClFN3O3S2/c1-23(29(26,27)19-7-6-17(20)28-19)13-18(25)22-16-8-10-24(11-9-16)12-14-2-4-15(21)5-3-14/h2-7,16H,8-13H2,1H3,(H,22,25)
InChIKeyNQWWBNAWYQJLTL-UHFFFAOYSA-N
MW460.00 g/mol
LogP2.94
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 55961079) has the molecular formula C19H23ClFN3O3S2 and a molecular weight of 460.00 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID55961079
Molecular FormulaC19H23ClFN3O3S2
Molecular Weight460.00 g/mol
Exact Mass459.09
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESCN(CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C19H23ClFN3O3S2/c1-23(29(26,27)19-7-6-17(20)28-19)13-18(25)22-16-8-10-24(11-9-16)12-14-2-4-15(21)5-3-14/h2-7,16H,8-13H2,1H3,(H,22,25)
InChIKeyNQWWBNAWYQJLTL-UHFFFAOYSA-N
XLogP2.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.00
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide (CID 55961079) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide is CN(CC(=O)NC1CCN(Cc2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is NQWWBNAWYQJLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN3O3S2/c1-23(29(26,27)19-7-6-17(20)28-19)13-18(25)22-16-8-10-24(11-9-16)12-14-2-4-15(21)5-3-14/h2-7,16H,8-13H2,1H3,(H,22,25).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 460.00 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 55961079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).