2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide

C18H21ClN2O4S2 — CID 108560976

IUPAC2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NC1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H21ClN2O4S2/c1-13(25-16-6-4-14(19)5-7-16)18(22)20-15-8-10-21(11-9-15)27(23,24)17-3-2-12-26-17/h2-7,12-13,15H,8-11H2,1H3,(H,20,22)
InChIKeyRWIOYWOWEXYHBA-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.14
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide

2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide (PubChem CID 108560976) has the molecular formula C18H21ClN2O4S2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
PubChem CID108560976
Molecular FormulaC18H21ClN2O4S2
Molecular Weight428.96 g/mol
Exact Mass428.06
IUPAC Name2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NC1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H21ClN2O4S2/c1-13(25-16-6-4-14(19)5-7-16)18(22)20-15-8-10-21(11-9-15)27(23,24)17-3-2-12-26-17/h2-7,12-13,15H,8-11H2,1H3,(H,20,22)
InChIKeyRWIOYWOWEXYHBA-UHFFFAOYSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108561586
2,2-diphenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108559458
2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108561076
(2R)-N-[(4-chlorophenyl)methyl]-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 95088661
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide
CID 108553149
1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea
CID 110823258
N-[1-(4-chlorophenyl)-2-methylpropyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46693048
ethyl [4-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamoyl]phenyl] carbonate
CID 108559085
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(4-hydroxyphenoxy)propanamide
CID 108551143
2-(4-hydroxyphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 108560076

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide (CID 108560976) is 2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NC1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is RWIOYWOWEXYHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S2/c1-13(25-16-6-4-14(19)5-7-16)18(22)20-15-8-10-21(11-9-15)27(23,24)17-3-2-12-26-17/h2-7,12-13,15H,8-11H2,1H3,(H,20,22).
What are the key properties of 2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide?
2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 428.96 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 108560976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).