tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate

C25H26N2O4S2 — CID 25190798

IUPACtert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccc(CCNS(=O)(=O)c3cccs3)cc2)cc2ccccc21
InChIInChI=1S/C25H26N2O4S2/c1-25(2,3)31-24(28)27-21-8-5-4-7-20(21)17-22(27)19-12-10-18(11-13-19)14-15-26-33(29,30)23-9-6-16-32-23/h4-13,16-17,26H,14-15H2,1-3H3
InChIKeyUKWZKSRAHQOEFY-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.67
Rot. Bonds6

About tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate

tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate (PubChem CID 25190798) has the molecular formula C25H26N2O4S2 and a molecular weight of 482.63 g/mol. Its IUPAC name is tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate
PubChem CID25190798
Molecular FormulaC25H26N2O4S2
Molecular Weight482.63 g/mol
Exact Mass482.13
IUPAC Nametert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccc(CCNS(=O)(=O)c3cccs3)cc2)cc2ccccc21
InChIInChI=1S/C25H26N2O4S2/c1-25(2,3)31-24(28)27-21-8-5-4-7-20(21)17-22(27)19-12-10-18(11-13-19)14-15-26-33(29,30)23-9-6-16-32-23/h4-13,16-17,26H,14-15H2,1-3H3
InChIKeyUKWZKSRAHQOEFY-UHFFFAOYSA-N
XLogP5.67
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate 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

tert-butyl 2-(2-benzenesulfonamido-2,3-dihydro-1H-inden-5-yl)-1H-indole-1-carboxylate
CID 25190792
tert-butyl 2-[3-(2-benzenesulfonamidoethyl)phenyl]-1H-indole-1-carboxylate
CID 25190793
tert-butyl 2-[4-(2-benzenesulfonamidoethyl)phenyl]-1H-indole-1-carboxylate
CID 25190794
tert-butyl 2-[4-(benzenesulfonamidomethyl)phenyl]-1H-indole-1-carboxylate
CID 25190795
tert-butyl 2-[4-(3-benzenesulfonamidopropyl)phenyl]-1H-indole-1-carboxylate
CID 25190796
tert-butyl 2-[(2R)-2-benzenesulfonamido-2,3-dihydro-1H-inden-5-yl]-1H-indole-1-carboxylate
CID 25190827
tert-butyl 2-[(2S)-2-benzenesulfonamido-2,3-dihydro-1H-inden-5-yl]-1H-indole-1-carboxylate
CID 25190828
tert-butyl 2-[2-(thiophene-2-sulfonamido)-2,3-dihydro-1H-inden-5-yl]-1H-indole-1-carboxylate
CID 25190863
tert-butyl 2-(2-ethanesulfonamido-2,3-dihydro-1H-inden-5-yl)-1H-indole-1-carboxylate
CID 25190869
N-[(4-thiophen-3-ylphenyl)methyl]-1H-indole-2-sulfonamide
CID 66546713
tert-butyl 2-(4-benzenesulfonamidophenyl)-1H-indole-1-carboxylate
CID 25190797
Boc-indole derivative, 16
CID 25190799

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate?
The IUPAC name of tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate (CID 25190798) is tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate is CC(C)(C)OC(=O)n1c(-c2ccc(CCNS(=O)(=O)c3cccs3)cc2)cc2ccccc21.
What is the InChIKey of tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate?
The InChIKey is UKWZKSRAHQOEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S2/c1-25(2,3)31-24(28)27-21-8-5-4-7-20(21)17-22(27)19-12-10-18(11-13-19)14-15-26-33(29,30)23-9-6-16-32-23/h4-13,16-17,26H,14-15H2,1-3H3.
What are the key properties of tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate?
tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate has a molecular weight of 482.63 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[2-(thiophen-2-ylsulfonylamino)ethyl]phenyl]indole-1-carboxylate is sourced from PubChem (CID 25190798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).