(E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid

C10H11F3N2O4S2 — CID 114812725

IUPAC(E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(CNS(=O)(=O)NCC(F)(F)F)s1
InChIInChI=1S/C10H11F3N2O4S2/c11-10(12,13)6-15-21(18,19)14-5-8-2-1-7(20-8)3-4-9(16)17/h1-4,14-15H,5-6H2,(H,16,17)/b4-3+
InChIKeyBAEPGZJYQCUBOV-ONEGZZNKSA-N
MW344.34 g/mol
LogP1.33
Rot. Bonds7

About (E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid

(E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid (PubChem CID 114812725) has the molecular formula C10H11F3N2O4S2 and a molecular weight of 344.34 g/mol. Its IUPAC name is (E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid
PubChem CID114812725
Molecular FormulaC10H11F3N2O4S2
Molecular Weight344.34 g/mol
Exact Mass344.01
IUPAC Name(E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(CNS(=O)(=O)NCC(F)(F)F)s1
InChIInChI=1S/C10H11F3N2O4S2/c11-10(12,13)6-15-21(18,19)14-5-8-2-1-7(20-8)3-4-9(16)17/h1-4,14-15H,5-6H2,(H,16,17)/b4-3+
InChIKeyBAEPGZJYQCUBOV-ONEGZZNKSA-N
XLogP1.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 61731003
(E)-3-[5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 65536596
3-[5-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 76917813
3-[5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 76918192
3-[5-[(Difluoromethylsulfonylamino)methyl]thiophen-2-yl]prop-2-enoic acid
CID 77033970
3-[5-[(Difluoromethylsulfonylamino)methyl]thiophen-3-yl]prop-2-enoic acid
CID 77034079
3-[5-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 77073253
3-[2-[(Difluoromethylsulfonylamino)methyl]thiophen-3-yl]prop-2-enoic acid
CID 80482222
(E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-enoic acid
CID 114812720
(E)-3-[2-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-3-yl]prop-2-enoic acid
CID 114812736
(E)-3-[5-[[2,2-difluoroethyl(methyl)amino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 116316845
(Z)-but-2-enedioic acid;N-chloro-1-thiophen-2-ylmethanamine
CID 161479654

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid (CID 114812725) is (E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid is O=C(O)/C=C/c1ccc(CNS(=O)(=O)NCC(F)(F)F)s1.
What is the InChIKey of (E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid?
The InChIKey is BAEPGZJYQCUBOV-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H11F3N2O4S2/c11-10(12,13)6-15-21(18,19)14-5-8-2-1-7(20-8)3-4-9(16)17/h1-4,14-15H,5-6H2,(H,16,17)/b4-3+.
What are the key properties of (E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid?
(E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid has a molecular weight of 344.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[(2,2,2-trifluoroethylsulfamoylamino)methyl]thiophen-2-yl]prop-2-enoic acid is sourced from PubChem (CID 114812725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).