N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide

C14H26N2O4S3 — CID 12991227

IUPACN-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCc1ccc(CCNS(=O)(=O)C(C)C)s1
InChIInChI=1S/C14H26N2O4S3/c1-11(2)22(17,18)15-9-7-13-5-6-14(21-13)8-10-16-23(19,20)12(3)4/h5-6,11-12,15-16H,7-10H2,1-4H3
InChIKeyPYNKBNUYCUCFSQ-UHFFFAOYSA-N
MW382.57 g/mol
LogP1.49
Rot. Bonds10

About N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide

N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide (PubChem CID 12991227) has the molecular formula C14H26N2O4S3 and a molecular weight of 382.57 g/mol. Its IUPAC name is N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
PubChem CID12991227
Molecular FormulaC14H26N2O4S3
Molecular Weight382.57 g/mol
Exact Mass382.11
IUPAC NameN-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCc1ccc(CCNS(=O)(=O)C(C)C)s1
InChIInChI=1S/C14H26N2O4S3/c1-11(2)22(17,18)15-9-7-13-5-6-14(21-13)8-10-16-23(19,20)12(3)4/h5-6,11-12,15-16H,7-10H2,1-4H3
InChIKeyPYNKBNUYCUCFSQ-UHFFFAOYSA-N
XLogP1.49
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide (CID 12991227) is N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCc1ccc(CCNS(=O)(=O)C(C)C)s1.
What is the InChIKey of N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide?
The InChIKey is PYNKBNUYCUCFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S3/c1-11(2)22(17,18)15-9-7-13-5-6-14(21-13)8-10-16-23(19,20)12(3)4/h5-6,11-12,15-16H,7-10H2,1-4H3.
What are the key properties of N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide?
N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide has a molecular weight of 382.57 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(propan-2-ylsulfonylamino)ethyl]thiophen-2-yl]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 12991227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).