N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide

C19H25N3O4S2 — CID 9415284

IUPACN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
SMILESCCOc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H25N3O4S2/c1-2-26-17-7-4-3-6-16(17)21-11-13-22(14-12-21)18(23)9-10-20-28(24,25)19-8-5-15-27-19/h3-8,15,20H,2,9-14H2,1H3
InChIKeyLRZNRUDPMUMHFT-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.16
Rot. Bonds8

About N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide

N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide (PubChem CID 9415284) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
PubChem CID9415284
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
SMILESCCOc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H25N3O4S2/c1-2-26-17-7-4-3-6-16(17)21-11-13-22(14-12-21)18(23)9-10-20-28(24,25)19-8-5-15-27-19/h3-8,15,20H,2,9-14H2,1H3
InChIKeyLRZNRUDPMUMHFT-UHFFFAOYSA-N
XLogP2.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
CID 9334371
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
CID 47097552
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 24538550
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
tert-butyl N-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutyl]carbamate
CID 9068973
N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 6619088
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 9415450
1-(3,4-dimethylphenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9069021
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78781102
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 22583185
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide (CID 9415284) is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide is CCOc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide?
The InChIKey is LRZNRUDPMUMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-2-26-17-7-4-3-6-16(17)21-11-13-22(14-12-21)18(23)9-10-20-28(24,25)19-8-5-15-27-19/h3-8,15,20H,2,9-14H2,1H3.
What are the key properties of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide?
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide has a molecular weight of 423.56 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 9415284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).