N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide

C14H15FN2O3S2 — CID 113069660

IUPACN-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C14H15FN2O3S2/c1-22(19,20)17(12-6-3-2-5-11(12)15)9-8-16-14(18)13-7-4-10-21-13/h2-7,10H,8-9H2,1H3,(H,16,18)
InChIKeyIQBNPMPWOHECLZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide

N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide (PubChem CID 113069660) has the molecular formula C14H15FN2O3S2 and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
PubChem CID113069660
Molecular FormulaC14H15FN2O3S2
Molecular Weight342.42 g/mol
Exact Mass342.05
IUPAC NameN-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C14H15FN2O3S2/c1-22(19,20)17(12-6-3-2-5-11(12)15)9-8-16-14(18)13-7-4-10-21-13/h2-7,10H,8-9H2,1H3,(H,16,18)
InChIKeyIQBNPMPWOHECLZ-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069987
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide
CID 113066889
N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113071113
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069700
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113069707
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113069709
N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113068548
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113070260
N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide
CID 113058294
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113069714

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide (CID 113069660) is N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide is CS(=O)(=O)N(CCNC(=O)c1cccs1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
The InChIKey is IQBNPMPWOHECLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S2/c1-22(19,20)17(12-6-3-2-5-11(12)15)9-8-16-14(18)13-7-4-10-21-13/h2-7,10H,8-9H2,1H3,(H,16,18).
What are the key properties of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113069660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).