N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide

C16H18FNO2S2 — CID 55904602

IUPACN-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)s1
InChIInChI=1S/C16H18FNO2S2/c1-2-14-9-10-16(21-14)22(19,20)18(13-7-8-13)11-12-5-3-4-6-15(12)17/h3-6,9-10,13H,2,7-8,11H2,1H3
InChIKeyJRFUBARLWKHYTB-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.80
Rot. Bonds6

About N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide

N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 55904602) has the molecular formula C16H18FNO2S2 and a molecular weight of 339.46 g/mol. Its IUPAC name is N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID55904602
Molecular FormulaC16H18FNO2S2
Molecular Weight339.46 g/mol
Exact Mass339.08
IUPAC NameN-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)s1
InChIInChI=1S/C16H18FNO2S2/c1-2-14-9-10-16(21-14)22(19,20)18(13-7-8-13)11-12-5-3-4-6-15(12)17/h3-6,9-10,13H,2,7-8,11H2,1H3
InChIKeyJRFUBARLWKHYTB-UHFFFAOYSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide (CID 55904602) is N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is JRFUBARLWKHYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S2/c1-2-14-9-10-16(21-14)22(19,20)18(13-7-8-13)11-12-5-3-4-6-15(12)17/h3-6,9-10,13H,2,7-8,11H2,1H3.
What are the key properties of N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide?
N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55904602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).