N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide

C15H17FN2O3S2 — CID 113066889

IUPACN-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccs1)Cc1ccccc1F
InChIInChI=1S/C15H17FN2O3S2/c1-23(20,21)18(11-12-5-2-3-6-13(12)16)9-8-17-15(19)14-7-4-10-22-14/h2-7,10H,8-9,11H2,1H3,(H,17,19)
InChIKeyZGVHDBPPDROPCA-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.08
Rot. Bonds7

About N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide

N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide (PubChem CID 113066889) has the molecular formula C15H17FN2O3S2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide
PubChem CID113066889
Molecular FormulaC15H17FN2O3S2
Molecular Weight356.44 g/mol
Exact Mass356.07
IUPAC NameN-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccs1)Cc1ccccc1F
InChIInChI=1S/C15H17FN2O3S2/c1-23(20,21)18(11-12-5-2-3-6-13(12)16)9-8-17-15(19)14-7-4-10-22-14/h2-7,10H,8-9,11H2,1H3,(H,17,19)
InChIKeyZGVHDBPPDROPCA-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066894
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069660
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066895
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066900
tert-butyl N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]carbamate
CID 113066925
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
CID 113066892
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide
CID 113058294
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
CID 113066552
2-(2-fluorophenyl)-N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068243
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide
CID 100771196

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide (CID 113066889) is N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide is CS(=O)(=O)N(CCNC(=O)c1cccs1)Cc1ccccc1F.
What is the InChIKey of N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is ZGVHDBPPDROPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S2/c1-23(20,21)18(11-12-5-2-3-6-13(12)16)9-8-17-15(19)14-7-4-10-22-14/h2-7,10H,8-9,11H2,1H3,(H,17,19).
What are the key properties of N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide?
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113066889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).