4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide

C14H17NO3S3 — CID 2059861

IUPAC4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCSCc2cccs2)cc1
InChIInChI=1S/C14H17NO3S3/c1-18-12-4-6-14(7-5-12)21(16,17)15-8-10-19-11-13-3-2-9-20-13/h2-7,9,15H,8,10-11H2,1H3
InChIKeySIQXZMNYUPPNRL-UHFFFAOYSA-N
MW343.50 g/mol
LogP2.97
Rot. Bonds8

About 4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide

4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide (PubChem CID 2059861) has the molecular formula C14H17NO3S3 and a molecular weight of 343.50 g/mol. Its IUPAC name is 4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide
PubChem CID2059861
Molecular FormulaC14H17NO3S3
Molecular Weight343.50 g/mol
Exact Mass343.04
IUPAC Name4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCSCc2cccs2)cc1
InChIInChI=1S/C14H17NO3S3/c1-18-12-4-6-14(7-5-12)21(16,17)15-8-10-19-11-13-3-2-9-20-13/h2-7,9,15H,8,10-11H2,1H3
InChIKeySIQXZMNYUPPNRL-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
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 4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide (CID 2059861) is 4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCSCc2cccs2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide?
The InChIKey is SIQXZMNYUPPNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S3/c1-18-12-4-6-14(7-5-12)21(16,17)15-8-10-19-11-13-3-2-9-20-13/h2-7,9,15H,8,10-11H2,1H3.
What are the key properties of 4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide?
4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide has a molecular weight of 343.50 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 2059861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).