3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide

C16H19ClN2O3S3 — CID 46653294

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCSCc1cccs1
InChIInChI=1S/C16H19ClN2O3S3/c17-13-3-1-5-15(11-13)25(21,22)19-7-6-16(20)18-8-10-23-12-14-4-2-9-24-14/h1-5,9,11,19H,6-8,10,12H2,(H,18,20)
InChIKeyZIIXKMKDVMDNHD-UHFFFAOYSA-N
MW418.99 g/mol
LogP3.12
Rot. Bonds10

About 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide (PubChem CID 46653294) has the molecular formula C16H19ClN2O3S3 and a molecular weight of 418.99 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide
PubChem CID46653294
Molecular FormulaC16H19ClN2O3S3
Molecular Weight418.99 g/mol
Exact Mass418.02
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCSCc1cccs1
InChIInChI=1S/C16H19ClN2O3S3/c17-13-3-1-5-15(11-13)25(21,22)19-7-6-16(20)18-8-10-23-12-14-4-2-9-24-14/h1-5,9,11,19H,6-8,10,12H2,(H,18,20)
InChIKeyZIIXKMKDVMDNHD-UHFFFAOYSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.99
LogP ≤ 53.12
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-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide (CID 46653294) is 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCSCc1cccs1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide?
The InChIKey is ZIIXKMKDVMDNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S3/c17-13-3-1-5-15(11-13)25(21,22)19-7-6-16(20)18-8-10-23-12-14-4-2-9-24-14/h1-5,9,11,19H,6-8,10,12H2,(H,18,20).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide has a molecular weight of 418.99 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 46653294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).