N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide

C20H23NO4S3 — CID 97106547

IUPACN-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCc2ccc([C@@H](O)c3cccs3)s2)cc1C
InChIInChI=1S/C20H23NO4S3/c1-3-10-25-17-8-7-16(12-14(17)2)28(23,24)21-13-15-6-9-19(27-15)20(22)18-5-4-11-26-18/h4-9,11-12,20-22H,3,10,13H2,1-2H3/t20-/m0/s1
InChIKeyILDIGYHPVQAEIS-FQEVSTJZSA-N
MW437.61 g/mol
LogP4.47
Rot. Bonds9

About N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide

N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide (PubChem CID 97106547) has the molecular formula C20H23NO4S3 and a molecular weight of 437.61 g/mol. Its IUPAC name is N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide
PubChem CID97106547
Molecular FormulaC20H23NO4S3
Molecular Weight437.61 g/mol
Exact Mass437.08
IUPAC NameN-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCc2ccc([C@@H](O)c3cccs3)s2)cc1C
InChIInChI=1S/C20H23NO4S3/c1-3-10-25-17-8-7-16(12-14(17)2)28(23,24)21-13-15-6-9-19(27-15)20(22)18-5-4-11-26-18/h4-9,11-12,20-22H,3,10,13H2,1-2H3/t20-/m0/s1
InChIKeyILDIGYHPVQAEIS-FQEVSTJZSA-N
XLogP4.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide 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-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide?
The IUPAC name of N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide (CID 97106547) is N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide?
The canonical SMILES for N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCc2ccc([C@@H](O)c3cccs3)s2)cc1C.
What is the InChIKey of N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide?
The InChIKey is ILDIGYHPVQAEIS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23NO4S3/c1-3-10-25-17-8-7-16(12-14(17)2)28(23,24)21-13-15-6-9-19(27-15)20(22)18-5-4-11-26-18/h4-9,11-12,20-22H,3,10,13H2,1-2H3/t20-/m0/s1.
What are the key properties of N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide?
N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide has a molecular weight of 437.61 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide is sourced from PubChem (CID 97106547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).