4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide

C14H18N2O3S4 — CID 3244465

IUPAC4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCSCCC(NS(=O)(=O)c1cccs1)C(=O)NCc1cccs1
InChIInChI=1S/C14H18N2O3S4/c1-20-9-6-12(14(17)15-10-11-4-2-7-21-11)16-23(18,19)13-5-3-8-22-13/h2-5,7-8,12,16H,6,9-10H2,1H3,(H,15,17)
InChIKeyVLSBUOGWSFCJEJ-UHFFFAOYSA-N
MW390.58 g/mol
LogP2.53
Rot. Bonds9

About 4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide

4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 3244465) has the molecular formula C14H18N2O3S4 and a molecular weight of 390.58 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID3244465
Molecular FormulaC14H18N2O3S4
Molecular Weight390.58 g/mol
Exact Mass390.02
IUPAC Name4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCSCCC(NS(=O)(=O)c1cccs1)C(=O)NCc1cccs1
InChIInChI=1S/C14H18N2O3S4/c1-20-9-6-12(14(17)15-10-11-4-2-7-21-11)16-23(18,19)13-5-3-8-22-13/h2-5,7-8,12,16H,6,9-10H2,1H3,(H,15,17)
InChIKeyVLSBUOGWSFCJEJ-UHFFFAOYSA-N
XLogP2.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of 4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide (CID 3244465) is 4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for 4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for 4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide is CSCCC(NS(=O)(=O)c1cccs1)C(=O)NCc1cccs1.
What is the InChIKey of 4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is VLSBUOGWSFCJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S4/c1-20-9-6-12(14(17)15-10-11-4-2-7-21-11)16-23(18,19)13-5-3-8-22-13/h2-5,7-8,12,16H,6,9-10H2,1H3,(H,15,17).
What are the key properties of 4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide?
4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 390.58 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 3244465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).