3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide

C18H18N2O3S3 — CID 3241740

IUPAC3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(NCc1cccs1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H18N2O3S3/c21-18(19-13-15-8-4-10-24-15)16(12-14-6-2-1-3-7-14)20-26(22,23)17-9-5-11-25-17/h1-11,16,20H,12-13H2,(H,19,21)
InChIKeyHNBUCIUTDRDBPC-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.02
Rot. Bonds8

About 3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide

3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 3241740) has the molecular formula C18H18N2O3S3 and a molecular weight of 406.55 g/mol. Its IUPAC name is 3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID3241740
Molecular FormulaC18H18N2O3S3
Molecular Weight406.55 g/mol
Exact Mass406.05
IUPAC Name3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(NCc1cccs1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H18N2O3S3/c21-18(19-13-15-8-4-10-24-15)16(12-14-6-2-1-3-7-14)20-26(22,23)17-9-5-11-25-17/h1-11,16,20H,12-13H2,(H,19,21)
InChIKeyHNBUCIUTDRDBPC-UHFFFAOYSA-N
XLogP3.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of 3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide (CID 3241740) is 3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for 3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for 3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide is O=C(NCc1cccs1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1.
What is the InChIKey of 3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is HNBUCIUTDRDBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S3/c21-18(19-13-15-8-4-10-24-15)16(12-14-6-2-1-3-7-14)20-26(22,23)17-9-5-11-25-17/h1-11,16,20H,12-13H2,(H,19,21).
What are the key properties of 3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide?
3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 406.55 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(thiophen-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 3241740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).