4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C16H21NO3S2 — CID 9267846

IUPAC4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccs2)cc1C(C)C
InChIInChI=1S/C16H21NO3S2/c1-4-20-16-8-7-14(10-15(16)12(2)3)22(18,19)17-11-13-6-5-9-21-13/h5-10,12,17H,4,11H2,1-3H3
InChIKeyBZNOZTZSDMLQCH-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.75
Rot. Bonds7

About 4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9267846) has the molecular formula C16H21NO3S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9267846
Molecular FormulaC16H21NO3S2
Molecular Weight339.48 g/mol
Exact Mass339.10
IUPAC Name4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccs2)cc1C(C)C
InChIInChI=1S/C16H21NO3S2/c1-4-20-16-8-7-14(10-15(16)12(2)3)22(18,19)17-11-13-6-5-9-21-13/h5-10,12,17H,4,11H2,1-3H3
InChIKeyBZNOZTZSDMLQCH-UHFFFAOYSA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene-2-sulfonic acid 2-methoxy-benzylamide
CID 769085
2-Methoxy-5-methyl-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 6458154
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
4-ethoxy-N-(2-(thiophen-2-yl)-2-tosylethyl)benzenesulfonamide
CID 16032980
[(2,5-Dimethyl-4-propoxyphenyl)sulfonyl](2-thienylmethyl)amine
CID 9267847
US10807974, Example 119
CID 130345231
4-methoxy-2,5-dimethyl-N-(2-thienylmethyl)benzenesulfonamide
CID 1256404
4-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1256620
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)thiophene-2-sulfonamide
CID 2742248
N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 4780754
[5-[3-(2-Ethoxyphenyl)-5-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130345197
US10807974, Example 69
CID 130345198

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9267846) is 4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cccs2)cc1C(C)C.
What is the InChIKey of 4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is BZNOZTZSDMLQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S2/c1-4-20-16-8-7-14(10-15(16)12(2)3)22(18,19)17-11-13-6-5-9-21-13/h5-10,12,17H,4,11H2,1-3H3.
What are the key properties of 4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 339.48 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9267846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).