N-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C11H14F3NO3S2 — CID 71918685

IUPACN-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)N(CC1CC1)CC(F)(F)F
InChIInChI=1S/C11H14F3NO3S2/c1-18-9-4-5-19-10(9)20(16,17)15(6-8-2-3-8)7-11(12,13)14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyFDWFVFIJRLEVRQ-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.72
Rot. Bonds6

About N-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

N-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 71918685) has the molecular formula C11H14F3NO3S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID71918685
Molecular FormulaC11H14F3NO3S2
Molecular Weight329.37 g/mol
Exact Mass329.04
IUPAC NameN-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)N(CC1CC1)CC(F)(F)F
InChIInChI=1S/C11H14F3NO3S2/c1-18-9-4-5-19-10(9)20(16,17)15(6-8-2-3-8)7-11(12,13)14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyFDWFVFIJRLEVRQ-UHFFFAOYSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 71918685) is N-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is COc1ccsc1S(=O)(=O)N(CC1CC1)CC(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is FDWFVFIJRLEVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S2/c1-18-9-4-5-19-10(9)20(16,17)15(6-8-2-3-8)7-11(12,13)14/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
N-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 329.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 71918685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).