3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide

C20H18F3N5O3S2 — CID 67629608

IUPAC3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide
SMILESCn1nc(-c2ccc(S(=O)(=O)Nc3[nH]c4ccccc4c3CCC(N)=O)s2)cc1C(F)(F)F
InChIInChI=1S/C20H18F3N5O3S2/c1-28-16(20(21,22)23)10-14(26-28)15-7-9-18(32-15)33(30,31)27-19-12(6-8-17(24)29)11-4-2-3-5-13(11)25-19/h2-5,7,9-10,25,27H,6,8H2,1H3,(H2,24,29)
InChIKeyRGMNCUBOPRJZQR-UHFFFAOYSA-N
MW497.52 g/mol
LogP3.87
Rot. Bonds7

About 3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide

3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide (PubChem CID 67629608) has the molecular formula C20H18F3N5O3S2 and a molecular weight of 497.52 g/mol. Its IUPAC name is 3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide.

Molecular Properties

Compound Name3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide
PubChem CID67629608
Molecular FormulaC20H18F3N5O3S2
Molecular Weight497.52 g/mol
Exact Mass497.08
IUPAC Name3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide
SMILESCn1nc(-c2ccc(S(=O)(=O)Nc3[nH]c4ccccc4c3CCC(N)=O)s2)cc1C(F)(F)F
InChIInChI=1S/C20H18F3N5O3S2/c1-28-16(20(21,22)23)10-14(26-28)15-7-9-18(32-15)33(30,31)27-19-12(6-8-17(24)29)11-4-2-3-5-13(11)25-19/h2-5,7,9-10,25,27H,6,8H2,1H3,(H2,24,29)
InChIKeyRGMNCUBOPRJZQR-UHFFFAOYSA-N
XLogP3.87
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide?
The IUPAC name of 3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide (CID 67629608) is 3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide.
What is the SMILES notation for 3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide?
The canonical SMILES for 3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide is Cn1nc(-c2ccc(S(=O)(=O)Nc3[nH]c4ccccc4c3CCC(N)=O)s2)cc1C(F)(F)F.
What is the InChIKey of 3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide?
The InChIKey is RGMNCUBOPRJZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3S2/c1-28-16(20(21,22)23)10-14(26-28)15-7-9-18(32-15)33(30,31)27-19-12(6-8-17(24)29)11-4-2-3-5-13(11)25-19/h2-5,7,9-10,25,27H,6,8H2,1H3,(H2,24,29).
What are the key properties of 3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide?
3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide has a molecular weight of 497.52 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylamino]-1H-indol-3-yl]propanamide is sourced from PubChem (CID 67629608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).