5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide

C15H17FN2O3S2 — CID 25047502

IUPAC5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(N)=O)s1
InChIInChI=1S/C15H17FN2O3S2/c1-15(2,3)12-8-11(13(22-12)14(17)19)18-23(20,21)10-6-4-9(16)5-7-10/h4-8,18H,1-3H3,(H2,17,19)
InChIKeyWELOODBIWCJIQQ-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.08
Rot. Bonds4

About 5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide

5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide (PubChem CID 25047502) has the molecular formula C15H17FN2O3S2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide
PubChem CID25047502
Molecular FormulaC15H17FN2O3S2
Molecular Weight356.44 g/mol
Exact Mass356.07
IUPAC Name5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(N)=O)s1
InChIInChI=1S/C15H17FN2O3S2/c1-15(2,3)12-8-11(13(22-12)14(17)19)18-23(20,21)10-6-4-9(16)5-7-10/h4-8,18H,1-3H3,(H2,17,19)
InChIKeyWELOODBIWCJIQQ-UHFFFAOYSA-N
XLogP3.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide 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

3-Amino-5-(Tert-Butyl)Thiophene-2-Carboxamide
CID 2735293
3-Amino-5-phenylthiophene-2-carboxamide
CID 2756534
5-Thiophen-3-yl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide
CID 2807878
N-(2-acetyl-5-phenyl-3-thienyl)benzenesulfonamide
CID 2809113
2-[(2-Thienylsulfonyl)amino]benzamide
CID 769135
N-[2-acetyl-5-(4-fluorophenyl)-3-thienyl]benzenesulfonamide
CID 2809107
3-Amino-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 2782903
3-((4-Fluorophenyl)sulfonamido)-5-phenylthiophene-2-carboxamide
CID 2807839
N-[2-acetyl-5-(4-fluorophenyl)-3-thienyl]-4-methylbenzenesulfonamide
CID 2809108
5-Tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxamide
CID 2807837
3-Amino-5-[4-(tert-butyl)phenyl]thiophene-2-carboxamide
CID 2735292
3-(Methanesulfonamido)-5-phenylthiophene-2-carboxamide
CID 2807842

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide (CID 25047502) is 5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide is CC(C)(C)c1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(N)=O)s1.
What is the InChIKey of 5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide?
The InChIKey is WELOODBIWCJIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S2/c1-15(2,3)12-8-11(13(22-12)14(17)19)18-23(20,21)10-6-4-9(16)5-7-10/h4-8,18H,1-3H3,(H2,17,19).
What are the key properties of 5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide?
5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide is sourced from PubChem (CID 25047502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).