N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide

C13H18ClNO3S2 — CID 75384029

IUPACN-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCS(=O)(=O)Cc1ccc(Cl)s1)C1CCCC1
InChIInChI=1S/C13H18ClNO3S2/c14-12-6-5-11(19-12)9-20(17,18)8-7-15-13(16)10-3-1-2-4-10/h5-6,10H,1-4,7-9H2,(H,15,16)
InChIKeyXWBJHNUHGIBWHI-UHFFFAOYSA-N
MW335.88 g/mol
LogP2.62
Rot. Bonds6

About N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide

N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide (PubChem CID 75384029) has the molecular formula C13H18ClNO3S2 and a molecular weight of 335.88 g/mol. Its IUPAC name is N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide
PubChem CID75384029
Molecular FormulaC13H18ClNO3S2
Molecular Weight335.88 g/mol
Exact Mass335.04
IUPAC NameN-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCS(=O)(=O)Cc1ccc(Cl)s1)C1CCCC1
InChIInChI=1S/C13H18ClNO3S2/c14-12-6-5-11(19-12)9-20(17,18)8-7-15-13(16)10-3-1-2-4-10/h5-6,10H,1-4,7-9H2,(H,15,16)
InChIKeyXWBJHNUHGIBWHI-UHFFFAOYSA-N
XLogP2.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide (CID 75384029) is N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide is O=C(NCCS(=O)(=O)Cc1ccc(Cl)s1)C1CCCC1.
What is the InChIKey of N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide?
The InChIKey is XWBJHNUHGIBWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S2/c14-12-6-5-11(19-12)9-20(17,18)8-7-15-13(16)10-3-1-2-4-10/h5-6,10H,1-4,7-9H2,(H,15,16).
What are the key properties of N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide?
N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide has a molecular weight of 335.88 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 75384029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).