5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide

C14H22N2O3S2 — CID 71939472

IUPAC5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCN2CCCCCC2=O)s1
InChIInChI=1S/C14H22N2O3S2/c1-2-12-7-8-14(20-12)21(18,19)15-9-11-16-10-5-3-4-6-13(16)17/h7-8,15H,2-6,9-11H2,1H3
InChIKeyASYSKXKSYXHSST-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.99
Rot. Bonds6

About 5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide

5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 71939472) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID71939472
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCN2CCCCCC2=O)s1
InChIInChI=1S/C14H22N2O3S2/c1-2-12-7-8-14(20-12)21(18,19)15-9-11-16-10-5-3-4-6-13(16)17/h7-8,15H,2-6,9-11H2,1H3
InChIKeyASYSKXKSYXHSST-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide (CID 71939472) is 5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCN2CCCCCC2=O)s1.
What is the InChIKey of 5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ASYSKXKSYXHSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-2-12-7-8-14(20-12)21(18,19)15-9-11-16-10-5-3-4-6-13(16)17/h7-8,15H,2-6,9-11H2,1H3.
What are the key properties of 5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 330.48 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(2-oxoazepan-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71939472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).