2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid

C14H21NO4S2 — CID 61454315

IUPAC2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid
SMILESCCc1ccc(S(=O)(=O)NC(C(=O)O)C2CCCCC2)s1
InChIInChI=1S/C14H21NO4S2/c1-2-11-8-9-12(20-11)21(18,19)15-13(14(16)17)10-6-4-3-5-7-10/h8-10,13,15H,2-7H2,1H3,(H,16,17)
InChIKeyFBJNWBIGLUGYAW-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.62
Rot. Bonds6

About 2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid

2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid (PubChem CID 61454315) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid
PubChem CID61454315
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC Name2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid
SMILESCCc1ccc(S(=O)(=O)NC(C(=O)O)C2CCCCC2)s1
InChIInChI=1S/C14H21NO4S2/c1-2-11-8-9-12(20-11)21(18,19)15-13(14(16)17)10-6-4-3-5-7-10/h8-10,13,15H,2-7H2,1H3,(H,16,17)
InChIKeyFBJNWBIGLUGYAW-UHFFFAOYSA-N
XLogP2.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid (CID 61454315) is 2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid is CCc1ccc(S(=O)(=O)NC(C(=O)O)C2CCCCC2)s1.
What is the InChIKey of 2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid?
The InChIKey is FBJNWBIGLUGYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-2-11-8-9-12(20-11)21(18,19)15-13(14(16)17)10-6-4-3-5-7-10/h8-10,13,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid?
2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid has a molecular weight of 331.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 61454315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).