2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide

C18H28ClN3O3S2 — CID 53118995

IUPAC2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCCCN1CCCC1
InChIInChI=1S/C18H28ClN3O3S2/c19-16-4-5-18(26-16)27(24,25)22-12-6-15(7-13-22)14-17(23)20-8-3-11-21-9-1-2-10-21/h4-5,15H,1-3,6-14H2,(H,20,23)
InChIKeyHVZWSQOYVQKFOG-UHFFFAOYSA-N
MW434.03 g/mol
LogP2.79
Rot. Bonds8

About 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide

2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 53118995) has the molecular formula C18H28ClN3O3S2 and a molecular weight of 434.03 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID53118995
Molecular FormulaC18H28ClN3O3S2
Molecular Weight434.03 g/mol
Exact Mass433.13
IUPAC Name2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCCCN1CCCC1
InChIInChI=1S/C18H28ClN3O3S2/c19-16-4-5-18(26-16)27(24,25)22-12-6-15(7-13-22)14-17(23)20-8-3-11-21-9-1-2-10-21/h4-5,15H,1-3,6-14H2,(H,20,23)
InChIKeyHVZWSQOYVQKFOG-UHFFFAOYSA-N
XLogP2.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.03
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 53031704
N-[(3S)-3-(azepan-1-yl)butyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 95088784
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 53118961
N-[2-[benzyl(methyl)amino]ethyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 53118998
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 50768014
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 53118948
4-[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]butanoic acid
CID 119135118
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
CID 7972513
2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 50767882
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide (CID 53118995) is 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide is O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCCCN1CCCC1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is HVZWSQOYVQKFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O3S2/c19-16-4-5-18(26-16)27(24,25)22-12-6-15(7-13-22)14-17(23)20-8-3-11-21-9-1-2-10-21/h4-5,15H,1-3,6-14H2,(H,20,23).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 434.03 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 53118995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).