3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide

C16H20N2O2S3 — CID 2169342

IUPAC3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCSCCC(=O)NCc1cccs1)NCc1cccs1
InChIInChI=1S/C16H20N2O2S3/c19-15(17-11-13-3-1-7-22-13)5-9-21-10-6-16(20)18-12-14-4-2-8-23-14/h1-4,7-8H,5-6,9-12H2,(H,17,19)(H,18,20)
InChIKeyIEOPQVFRKBTBGJ-UHFFFAOYSA-N
MW368.55 g/mol
LogP3.26
Rot. Bonds10

About 3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide

3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 2169342) has the molecular formula C16H20N2O2S3 and a molecular weight of 368.55 g/mol. Its IUPAC name is 3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID2169342
Molecular FormulaC16H20N2O2S3
Molecular Weight368.55 g/mol
Exact Mass368.07
IUPAC Name3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCSCCC(=O)NCc1cccs1)NCc1cccs1
InChIInChI=1S/C16H20N2O2S3/c19-15(17-11-13-3-1-7-22-13)5-9-21-10-6-16(20)18-12-14-4-2-8-23-14/h1-4,7-8H,5-6,9-12H2,(H,17,19)(H,18,20)
InChIKeyIEOPQVFRKBTBGJ-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide (CID 2169342) is 3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide is O=C(CCSCCC(=O)NCc1cccs1)NCc1cccs1.
What is the InChIKey of 3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is IEOPQVFRKBTBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S3/c19-15(17-11-13-3-1-7-22-13)5-9-21-10-6-16(20)18-12-14-4-2-8-23-14/h1-4,7-8H,5-6,9-12H2,(H,17,19)(H,18,20).
What are the key properties of 3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 368.55 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 2169342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).