N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide

C12H18F3N3O3S2 — CID 91653331

IUPACN-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)C(C)N(C)CC(F)(F)F)s1
InChIInChI=1S/C12H18F3N3O3S2/c1-8(18(3)7-12(13,14)15)11(19)17-6-9-4-5-10(22-9)23(20,21)16-2/h4-5,8,16H,6-7H2,1-3H3,(H,17,19)
InChIKeyPBMONMPWCPFVDN-UHFFFAOYSA-N
MW373.42 g/mol
LogP1.15
Rot. Bonds7

About N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide

N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide (PubChem CID 91653331) has the molecular formula C12H18F3N3O3S2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide.

Molecular Properties

Compound NameN-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
PubChem CID91653331
Molecular FormulaC12H18F3N3O3S2
Molecular Weight373.42 g/mol
Exact Mass373.07
IUPAC NameN-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)C(C)N(C)CC(F)(F)F)s1
InChIInChI=1S/C12H18F3N3O3S2/c1-8(18(3)7-12(13,14)15)11(19)17-6-9-4-5-10(22-9)23(20,21)16-2/h4-5,8,16H,6-7H2,1-3H3,(H,17,19)
InChIKeyPBMONMPWCPFVDN-UHFFFAOYSA-N
XLogP1.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The IUPAC name of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide (CID 91653331) is N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide.
What is the SMILES notation for N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The canonical SMILES for N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide is CNS(=O)(=O)c1ccc(CNC(=O)C(C)N(C)CC(F)(F)F)s1.
What is the InChIKey of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The InChIKey is PBMONMPWCPFVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O3S2/c1-8(18(3)7-12(13,14)15)11(19)17-6-9-4-5-10(22-9)23(20,21)16-2/h4-5,8,16H,6-7H2,1-3H3,(H,17,19).
What are the key properties of N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide has a molecular weight of 373.42 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide is sourced from PubChem (CID 91653331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).