3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide

C12H17BrN2O3S2 — CID 3241181

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)s1)NC1CCCC1
InChIInChI=1S/C12H17BrN2O3S2/c13-10-5-6-12(19-10)20(17,18)14-8-7-11(16)15-9-3-1-2-4-9/h5-6,9,14H,1-4,7-8H2,(H,15,16)
InChIKeyLZQUJCBEXPBMGS-UHFFFAOYSA-N
MW381.32 g/mol
LogP2.24
Rot. Bonds6

About 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide

3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide (PubChem CID 3241181) has the molecular formula C12H17BrN2O3S2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide
PubChem CID3241181
Molecular FormulaC12H17BrN2O3S2
Molecular Weight381.32 g/mol
Exact Mass379.99
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)s1)NC1CCCC1
InChIInChI=1S/C12H17BrN2O3S2/c13-10-5-6-12(19-10)20(17,18)14-8-7-11(16)15-9-3-1-2-4-9/h5-6,9,14H,1-4,7-8H2,(H,15,16)
InChIKeyLZQUJCBEXPBMGS-UHFFFAOYSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide (CID 3241181) is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide is O=C(CCNS(=O)(=O)c1ccc(Br)s1)NC1CCCC1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide?
The InChIKey is LZQUJCBEXPBMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S2/c13-10-5-6-12(19-10)20(17,18)14-8-7-11(16)15-9-3-1-2-4-9/h5-6,9,14H,1-4,7-8H2,(H,15,16).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide?
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide has a molecular weight of 381.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclopentylpropanamide is sourced from PubChem (CID 3241181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).