2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide

C10H14ClNO3S2 — CID 71861113

IUPAC2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide
SMILESCC(C(=O)NS(=O)(=O)C(C)C)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO3S2/c1-6(2)17(14,15)12-10(13)7(3)8-4-5-9(11)16-8/h4-7H,1-3H3,(H,12,13)
InChIKeyUSSZTUIIHADMSC-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.36
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide

2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide (PubChem CID 71861113) has the molecular formula C10H14ClNO3S2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide
PubChem CID71861113
Molecular FormulaC10H14ClNO3S2
Molecular Weight295.81 g/mol
Exact Mass295.01
IUPAC Name2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide
SMILESCC(C(=O)NS(=O)(=O)C(C)C)c1ccc(Cl)s1
InChIInChI=1S/C10H14ClNO3S2/c1-6(2)17(14,15)12-10(13)7(3)8-4-5-9(11)16-8/h4-7H,1-3H3,(H,12,13)
InChIKeyUSSZTUIIHADMSC-UHFFFAOYSA-N
XLogP2.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide (CID 71861113) is 2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide is CC(C(=O)NS(=O)(=O)C(C)C)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide?
The InChIKey is USSZTUIIHADMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S2/c1-6(2)17(14,15)12-10(13)7(3)8-4-5-9(11)16-8/h4-7H,1-3H3,(H,12,13).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide?
2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide has a molecular weight of 295.81 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 71861113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).