N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide

C14H15FN2O3S2 — CID 4615679

IUPACN-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)cc1F
InChIInChI=1S/C14H15FN2O3S2/c1-10-4-5-11(9-12(10)15)17-13(18)6-7-16-22(19,20)14-3-2-8-21-14/h2-5,8-9,16H,6-7H2,1H3,(H,17,18)
InChIKeyMYZQYKOXFGHZSZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.50
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide

N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 4615679) has the molecular formula C14H15FN2O3S2 and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID4615679
Molecular FormulaC14H15FN2O3S2
Molecular Weight342.42 g/mol
Exact Mass342.05
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)cc1F
InChIInChI=1S/C14H15FN2O3S2/c1-10-4-5-11(9-12(10)15)17-13(18)6-7-16-22(19,20)14-3-2-8-21-14/h2-5,8-9,16H,6-7H2,1H3,(H,17,18)
InChIKeyMYZQYKOXFGHZSZ-UHFFFAOYSA-N
XLogP2.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide (CID 4615679) is N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide is Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccs2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is MYZQYKOXFGHZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S2/c1-10-4-5-11(9-12(10)15)17-13(18)6-7-16-22(19,20)14-3-2-8-21-14/h2-5,8-9,16H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 342.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 4615679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).