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

C16H19ClN2O4S2 — CID 53118948

IUPAC2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCc1ccco1
InChIInChI=1S/C16H19ClN2O4S2/c17-14-3-4-16(24-14)25(21,22)19-7-5-12(6-8-19)10-15(20)18-11-13-2-1-9-23-13/h1-4,9,12H,5-8,10-11H2,(H,18,20)
InChIKeyIZXMKTIISGPSAD-UHFFFAOYSA-N
MW402.93 g/mol
LogP3.10
Rot. Bonds6

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

2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 53118948) has the molecular formula C16H19ClN2O4S2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID53118948
Molecular FormulaC16H19ClN2O4S2
Molecular Weight402.93 g/mol
Exact Mass402.05
IUPAC Name2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCc1ccco1
InChIInChI=1S/C16H19ClN2O4S2/c17-14-3-4-16(24-14)25(21,22)19-7-5-12(6-8-19)10-15(20)18-11-13-2-1-9-23-13/h1-4,9,12H,5-8,10-11H2,(H,18,20)
InChIKeyIZXMKTIISGPSAD-UHFFFAOYSA-N
XLogP3.10
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590695
2-(5-chlorothiophen-2-yl)sulfonyl-N-(furan-2-ylmethyl)acetamide
CID 42100195
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 53118995
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-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 38797770
N-[(3S)-3-(azepan-1-yl)butyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 95088784
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
CID 7972513

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide (CID 53118948) is 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)NCc1ccco1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IZXMKTIISGPSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S2/c17-14-3-4-16(24-14)25(21,22)19-7-5-12(6-8-19)10-15(20)18-11-13-2-1-9-23-13/h1-4,9,12H,5-8,10-11H2,(H,18,20).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide?
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 402.93 g/mol, XLogP of 3.10, 6 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 53118948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).