N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide

C23H29N3O3S2 — CID 70895283

IUPACN-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C2CC=CS2)CC1
InChIInChI=1S/C23H29N3O3S2/c1-25-13-15-26(16-14-25)22(23-8-5-17-30-23)18-24-31(27,28)21-11-9-20(10-12-21)29-19-6-3-2-4-7-19/h2-7,9-12,17,22-24H,8,13-16,18H2,1H3
InChIKeyKVDNCHTYUCNTEL-UHFFFAOYSA-N
MW459.64 g/mol
LogP3.39
Rot. Bonds8

About N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide

N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide (PubChem CID 70895283) has the molecular formula C23H29N3O3S2 and a molecular weight of 459.64 g/mol. Its IUPAC name is N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
PubChem CID70895283
Molecular FormulaC23H29N3O3S2
Molecular Weight459.64 g/mol
Exact Mass459.17
IUPAC NameN-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C2CC=CS2)CC1
InChIInChI=1S/C23H29N3O3S2/c1-25-13-15-26(16-14-25)22(23-8-5-17-30-23)18-24-31(27,28)21-11-9-20(10-12-21)29-19-6-3-2-4-7-19/h2-7,9-12,17,22-24H,8,13-16,18H2,1H3
InChIKeyKVDNCHTYUCNTEL-UHFFFAOYSA-N
XLogP3.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide with MolForge

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Related Compounds

N-[2-(5-methyl-2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 70895253
N-[2-(2-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 45275010
N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 45275234
N-[2-(4-cyanophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 45275453
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8670105
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 18578232
N-[2-(3,4-dihydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 70895265
N-[2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 6710490
N-[(2S)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-4-phenoxybenzenesulfonamide
CID 69367910
4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932940
N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812936
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631098

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide (CID 70895283) is N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide is CN1CCN(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C2CC=CS2)CC1.
What is the InChIKey of N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide?
The InChIKey is KVDNCHTYUCNTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S2/c1-25-13-15-26(16-14-25)22(23-8-5-17-30-23)18-24-31(27,28)21-11-9-20(10-12-21)29-19-6-3-2-4-7-19/h2-7,9-12,17,22-24H,8,13-16,18H2,1H3.
What are the key properties of N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide?
N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide has a molecular weight of 459.64 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydrothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 70895283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).