N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide

C16H21NO2S2 — CID 54365594

IUPACN-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide
SMILESCCCNS(=O)(=O)C(C)(C)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C16H21NO2S2/c1-4-11-17-21(18,19)16(2,3)14-9-7-13(8-10-14)15-6-5-12-20-15/h5-10,12,17H,4,11H2,1-3H3
InChIKeyUPNYBVGSSMATCX-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.98
Rot. Bonds6

About N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide

N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide (PubChem CID 54365594) has the molecular formula C16H21NO2S2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide
PubChem CID54365594
Molecular FormulaC16H21NO2S2
Molecular Weight323.48 g/mol
Exact Mass323.10
IUPAC NameN-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide
SMILESCCCNS(=O)(=O)C(C)(C)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C16H21NO2S2/c1-4-11-17-21(18,19)16(2,3)14-9-7-13(8-10-14)15-6-5-12-20-15/h5-10,12,17H,4,11H2,1-3H3
InChIKeyUPNYBVGSSMATCX-UHFFFAOYSA-N
XLogP3.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide?
The IUPAC name of N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide (CID 54365594) is N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide.
What is the SMILES notation for N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide?
The canonical SMILES for N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide is CCCNS(=O)(=O)C(C)(C)c1ccc(-c2cccs2)cc1.
What is the InChIKey of N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide?
The InChIKey is UPNYBVGSSMATCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S2/c1-4-11-17-21(18,19)16(2,3)14-9-7-13(8-10-14)15-6-5-12-20-15/h5-10,12,17H,4,11H2,1-3H3.
What are the key properties of N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide?
N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide has a molecular weight of 323.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(4-thiophen-2-ylphenyl)propane-2-sulfonamide is sourced from PubChem (CID 54365594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).