4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide

C18H19NO3S3 — CID 8801727

IUPAC4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C18H19NO3S3/c1-2-22-15-7-9-18(10-8-15)25(20,21)19(13-16-5-3-11-23-16)14-17-6-4-12-24-17/h3-12H,2,13-14H2,1H3
InChIKeyATNSMCBIWRBTKI-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.60
Rot. Bonds8

About 4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide

4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 8801727) has the molecular formula C18H19NO3S3 and a molecular weight of 393.56 g/mol. Its IUPAC name is 4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID8801727
Molecular FormulaC18H19NO3S3
Molecular Weight393.56 g/mol
Exact Mass393.05
IUPAC Name4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1
InChIInChI=1S/C18H19NO3S3/c1-2-22-15-7-9-18(10-8-15)25(20,21)19(13-16-5-3-11-23-16)14-17-6-4-12-24-17/h3-12H,2,13-14H2,1H3
InChIKeyATNSMCBIWRBTKI-UHFFFAOYSA-N
XLogP4.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
ethyl 2-[(4-bromophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]acetate
CID 4171321
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
ethyl 3-[(4-fluorophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]propanoate
CID 3241642
N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 71624059
N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 26943731
6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 115602484

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide (CID 8801727) is 4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)cc1.
What is the InChIKey of 4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is ATNSMCBIWRBTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S3/c1-2-22-15-7-9-18(10-8-15)25(20,21)19(13-16-5-3-11-23-16)14-17-6-4-12-24-17/h3-12H,2,13-14H2,1H3.
What are the key properties of 4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide?
4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 393.56 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 8801727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).