4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide

C19H26FN3O3S2 — CID 16932992

IUPAC4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCN(C)CC2)cc1F
InChIInChI=1S/C19H26FN3O3S2/c1-3-26-19-5-4-16(12-17(19)20)28(24,25)21-13-18(15-6-11-27-14-15)23-9-7-22(2)8-10-23/h4-6,11-12,14,18,21H,3,7-10,13H2,1-2H3
InChIKeyAIIREQXMBCJDRJ-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.55
Rot. Bonds8

About 4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide

4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide (PubChem CID 16932992) has the molecular formula C19H26FN3O3S2 and a molecular weight of 427.57 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
PubChem CID16932992
Molecular FormulaC19H26FN3O3S2
Molecular Weight427.57 g/mol
Exact Mass427.14
IUPAC Name4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCN(C)CC2)cc1F
InChIInChI=1S/C19H26FN3O3S2/c1-3-26-19-5-4-16(12-17(19)20)28(24,25)21-13-18(15-6-11-27-14-15)23-9-7-22(2)8-10-23/h4-6,11-12,14,18,21H,3,7-10,13H2,1-2H3
InChIKeyAIIREQXMBCJDRJ-UHFFFAOYSA-N
XLogP2.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2999542
N-[1-(2-phenoxyethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 55479093
N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 71451454
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
CID 24817072
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 24982604
[4-(4-Ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 2576302
N-(2-(azepan-1-yl)-2-(thiophen-3-yl)ethyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 16933249
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 16300722
5-fluoro-2-methoxy-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 16812906
4-methoxy-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 16823132
3-fluoro-4-methoxy-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)benzenesulfonamide
CID 16888291
4-ethoxy-3-fluoro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888328

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide (CID 16932992) is 4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCN(C)CC2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
The InChIKey is AIIREQXMBCJDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3S2/c1-3-26-19-5-4-16(12-17(19)20)28(24,25)21-13-18(15-6-11-27-14-15)23-9-7-22(2)8-10-23/h4-6,11-12,14,18,21H,3,7-10,13H2,1-2H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide has a molecular weight of 427.57 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 16932992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).