2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide

C14H22N2O3S2 — CID 136516901

IUPAC2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2(CC(N)=O)CCC2)s1
InChIInChI=1S/C14H22N2O3S2/c1-13(2,3)10-5-6-12(20-10)21(18,19)16-14(7-4-8-14)9-11(15)17/h5-6,16H,4,7-9H2,1-3H3,(H2,15,17)
InChIKeyBWRPIOCXOWKEHI-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.12
Rot. Bonds5

About 2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide

2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide (PubChem CID 136516901) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide
PubChem CID136516901
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2(CC(N)=O)CCC2)s1
InChIInChI=1S/C14H22N2O3S2/c1-13(2,3)10-5-6-12(20-10)21(18,19)16-14(7-4-8-14)9-11(15)17/h5-6,16H,4,7-9H2,1-3H3,(H2,15,17)
InChIKeyBWRPIOCXOWKEHI-UHFFFAOYSA-N
XLogP2.12
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide?
The IUPAC name of 2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide (CID 136516901) is 2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide.
What is the SMILES notation for 2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide?
The canonical SMILES for 2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide is CC(C)(C)c1ccc(S(=O)(=O)NC2(CC(N)=O)CCC2)s1.
What is the InChIKey of 2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide?
The InChIKey is BWRPIOCXOWKEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-13(2,3)10-5-6-12(20-10)21(18,19)16-14(7-4-8-14)9-11(15)17/h5-6,16H,4,7-9H2,1-3H3,(H2,15,17).
What are the key properties of 2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide?
2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide has a molecular weight of 330.48 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-tert-butylthiophen-2-yl)sulfonylamino]cyclobutyl]acetamide is sourced from PubChem (CID 136516901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).