N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide

C17H22N2O5S3 — CID 15989593

IUPACN-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCOc1ccc(OC)c(NC(=O)C(CCSC)NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C17H22N2O5S3/c1-23-12-6-7-15(24-2)14(11-12)18-17(20)13(8-10-25-3)19-27(21,22)16-5-4-9-26-16/h4-7,9,11,13,19H,8,10H2,1-3H3,(H,18,20)
InChIKeyNNTDCFPJAKVPRE-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.80
Rot. Bonds10

About N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide

N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 15989593) has the molecular formula C17H22N2O5S3 and a molecular weight of 430.57 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID15989593
Molecular FormulaC17H22N2O5S3
Molecular Weight430.57 g/mol
Exact Mass430.07
IUPAC NameN-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCOc1ccc(OC)c(NC(=O)C(CCSC)NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C17H22N2O5S3/c1-23-12-6-7-15(24-2)14(11-12)18-17(20)13(8-10-25-3)19-27(21,22)16-5-4-9-26-16/h4-7,9,11,13,19H,8,10H2,1-3H3,(H,18,20)
InChIKeyNNTDCFPJAKVPRE-UHFFFAOYSA-N
XLogP2.80
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide 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-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide (CID 15989593) is N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide is COc1ccc(OC)c(NC(=O)C(CCSC)NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is NNTDCFPJAKVPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S3/c1-23-12-6-7-15(24-2)14(11-12)18-17(20)13(8-10-25-3)19-27(21,22)16-5-4-9-26-16/h4-7,9,11,13,19H,8,10H2,1-3H3,(H,18,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide?
N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 430.57 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 15989593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).