N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide

C25H20N2O3S2 — CID 20703870

IUPACN-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N=C(Cc1ccc(Oc3ccccc3)cc1)C2)c1cccs1
InChIInChI=1S/C25H20N2O3S2/c28-32(29,25-7-4-14-31-25)27-20-11-10-19-16-21(26-24(19)17-20)15-18-8-12-23(13-9-18)30-22-5-2-1-3-6-22/h1-14,17,27H,15-16H2
InChIKeyNDPGFWNQVAOODT-UHFFFAOYSA-N
MW460.58 g/mol
LogP6.21
Rot. Bonds7

About N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide

N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide (PubChem CID 20703870) has the molecular formula C25H20N2O3S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide
PubChem CID20703870
Molecular FormulaC25H20N2O3S2
Molecular Weight460.58 g/mol
Exact Mass460.09
IUPAC NameN-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N=C(Cc1ccc(Oc3ccccc3)cc1)C2)c1cccs1
InChIInChI=1S/C25H20N2O3S2/c28-32(29,25-7-4-14-31-25)27-20-11-10-19-16-21(26-24(19)17-20)15-18-8-12-23(13-9-18)30-22-5-2-1-3-6-22/h1-14,17,27H,15-16H2
InChIKeyNDPGFWNQVAOODT-UHFFFAOYSA-N
XLogP6.21
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-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

Related Compounds

N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
CID 27301138
4-methoxy-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide
CID 20703849
2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268
1,1,1-trifluoro-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]methanesulfonamide
CID 20703811
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide
CID 126346342
N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-sulfonamide
CID 39839792
N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide
CID 6493654
N-(4-phenoxyphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21170659
N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide (CID 20703870) is N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc2c(c1)N=C(Cc1ccc(Oc3ccccc3)cc1)C2)c1cccs1.
What is the InChIKey of N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide?
The InChIKey is NDPGFWNQVAOODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3S2/c28-32(29,25-7-4-14-31-25)27-20-11-10-19-16-21(26-24(19)17-20)15-18-8-12-23(13-9-18)30-22-5-2-1-3-6-22/h1-14,17,27H,15-16H2.
What are the key properties of N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide?
N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide has a molecular weight of 460.58 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-phenoxyphenyl)methyl]-3H-indol-6-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 20703870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).