N-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide

C15H23ClN2O3S2 — CID 53118944

IUPACN-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
SMILESCCC(C)NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H23ClN2O3S2/c1-3-11(2)17-14(19)10-12-6-8-18(9-7-12)23(20,21)15-5-4-13(16)22-15/h4-5,11-12H,3,6-10H2,1-2H3,(H,17,19)
InChIKeyOUOGXSCHNWBXID-UHFFFAOYSA-N
MW378.95 g/mol
LogP3.11
Rot. Bonds6

About N-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide

N-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 53118944) has the molecular formula C15H23ClN2O3S2 and a molecular weight of 378.95 g/mol. Its IUPAC name is N-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
PubChem CID53118944
Molecular FormulaC15H23ClN2O3S2
Molecular Weight378.95 g/mol
Exact Mass378.08
IUPAC NameN-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
SMILESCCC(C)NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H23ClN2O3S2/c1-3-11(2)17-14(19)10-12-6-8-18(9-7-12)23(20,21)15-5-4-13(16)22-15/h4-5,11-12H,3,6-10H2,1-2H3,(H,17,19)
InChIKeyOUOGXSCHNWBXID-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide (CID 53118944) is N-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide is CCC(C)NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of N-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is OUOGXSCHNWBXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S2/c1-3-11(2)17-14(19)10-12-6-8-18(9-7-12)23(20,21)15-5-4-13(16)22-15/h4-5,11-12H,3,6-10H2,1-2H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide?
N-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 378.95 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 53118944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).