N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide

C23H28N2O2S3 — CID 68949318

IUPACN-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide
SMILESC[C@@H](CC1CCCC1)NCc1ccccc1NS(=O)(=O)c1cc(-c2ccsc2)cs1
InChIInChI=1S/C23H28N2O2S3/c1-17(12-18-6-2-3-7-18)24-14-19-8-4-5-9-22(19)25-30(26,27)23-13-21(16-29-23)20-10-11-28-15-20/h4-5,8-11,13,15-18,24-25H,2-3,6-7,12,14H2,1H3/t17-/m0/s1
InChIKeyGNRKHEQXWPMFJV-KRWDZBQOSA-N
MW460.69 g/mol
LogP6.34
Rot. Bonds9

About N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide

N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide (PubChem CID 68949318) has the molecular formula C23H28N2O2S3 and a molecular weight of 460.69 g/mol. Its IUPAC name is N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide
PubChem CID68949318
Molecular FormulaC23H28N2O2S3
Molecular Weight460.69 g/mol
Exact Mass460.13
IUPAC NameN-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide
SMILESC[C@@H](CC1CCCC1)NCc1ccccc1NS(=O)(=O)c1cc(-c2ccsc2)cs1
InChIInChI=1S/C23H28N2O2S3/c1-17(12-18-6-2-3-7-18)24-14-19-8-4-5-9-22(19)25-30(26,27)23-13-21(16-29-23)20-10-11-28-15-20/h4-5,8-11,13,15-18,24-25H,2-3,6-7,12,14H2,1H3/t17-/m0/s1
InChIKeyGNRKHEQXWPMFJV-KRWDZBQOSA-N
XLogP6.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.69
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide 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 N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide (CID 68949318) is N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide is C[C@@H](CC1CCCC1)NCc1ccccc1NS(=O)(=O)c1cc(-c2ccsc2)cs1.
What is the InChIKey of N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide?
The InChIKey is GNRKHEQXWPMFJV-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N2O2S3/c1-17(12-18-6-2-3-7-18)24-14-19-8-4-5-9-22(19)25-30(26,27)23-13-21(16-29-23)20-10-11-28-15-20/h4-5,8-11,13,15-18,24-25H,2-3,6-7,12,14H2,1H3/t17-/m0/s1.
What are the key properties of N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide?
N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide has a molecular weight of 460.69 g/mol, XLogP of 6.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-4-thiophen-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 68949318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).