N-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide

C15H16F2N2O4S2 — CID 18143881

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NCc1ccccc1OC(F)F
InChIInChI=1S/C15H16F2N2O4S2/c16-15(17)23-12-5-2-1-4-11(12)10-18-13(20)7-8-19-25(21,22)14-6-3-9-24-14/h1-6,9,15,19H,7-8,10H2,(H,18,20)
InChIKeyFGCOEAYNPFMRPN-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.33
Rot. Bonds9

About N-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide

N-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 18143881) has the molecular formula C15H16F2N2O4S2 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID18143881
Molecular FormulaC15H16F2N2O4S2
Molecular Weight390.43 g/mol
Exact Mass390.05
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NCc1ccccc1OC(F)F
InChIInChI=1S/C15H16F2N2O4S2/c16-15(17)23-12-5-2-1-4-11(12)10-18-13(20)7-8-19-25(21,22)14-6-3-9-24-14/h1-6,9,15,19H,7-8,10H2,(H,18,20)
InChIKeyFGCOEAYNPFMRPN-UHFFFAOYSA-N
XLogP2.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide (CID 18143881) is N-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1cccs1)NCc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is FGCOEAYNPFMRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4S2/c16-15(17)23-12-5-2-1-4-11(12)10-18-13(20)7-8-19-25(21,22)14-6-3-9-24-14/h1-6,9,15,19H,7-8,10H2,(H,18,20).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 390.43 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 18143881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).