5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide

C15H25N3O3S2 — CID 110287224

IUPAC5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCC(=O)N2CCN(CC)CC2)s1
InChIInChI=1S/C15H25N3O3S2/c1-3-13-5-6-15(22-13)23(20,21)16-8-7-14(19)18-11-9-17(4-2)10-12-18/h5-6,16H,3-4,7-12H2,1-2H3
InChIKeyDCQUUQLZSSVHHS-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.14
Rot. Bonds7

About 5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide

5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide (PubChem CID 110287224) has the molecular formula C15H25N3O3S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
PubChem CID110287224
Molecular FormulaC15H25N3O3S2
Molecular Weight359.52 g/mol
Exact Mass359.13
IUPAC Name5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCC(=O)N2CCN(CC)CC2)s1
InChIInChI=1S/C15H25N3O3S2/c1-3-13-5-6-15(22-13)23(20,21)16-8-7-14(19)18-11-9-17(4-2)10-12-18/h5-6,16H,3-4,7-12H2,1-2H3
InChIKeyDCQUUQLZSSVHHS-UHFFFAOYSA-N
XLogP1.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 110626322
3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 110287226
5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389169
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110287214
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
CID 47097552
N-cyclopropyl-N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113052210
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
5-ethyl-N-(4-morpholin-4-ylbut-2-ynyl)thiophene-2-sulfonamide
CID 71792745
5-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616513
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide (CID 110287224) is 5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCC(=O)N2CCN(CC)CC2)s1.
What is the InChIKey of 5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
The InChIKey is DCQUUQLZSSVHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2/c1-3-13-5-6-15(22-13)23(20,21)16-8-7-14(19)18-11-9-17(4-2)10-12-18/h5-6,16H,3-4,7-12H2,1-2H3.
What are the key properties of 5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide?
5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide has a molecular weight of 359.52 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110287224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).