N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide

C26H33N5O3S — CID 135348319

IUPACN-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide
SMILESCCOc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C26H33N5O3S/c1-4-34-24-14-20(13-22(16-24)30-35(32,33)18(2)3)25-15-21(17-29-26(25)27)19-5-7-23(8-6-19)31-11-9-28-10-12-31/h5-8,13-18,28,30H,4,9-12H2,1-3H3,(H2,27,29)
InChIKeyGTJCBPZCSZZPQO-UHFFFAOYSA-N
MW495.65 g/mol
LogP3.96
Rot. Bonds8

About N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide

N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide (PubChem CID 135348319) has the molecular formula C26H33N5O3S and a molecular weight of 495.65 g/mol. Its IUPAC name is N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide
PubChem CID135348319
Molecular FormulaC26H33N5O3S
Molecular Weight495.65 g/mol
Exact Mass495.23
IUPAC NameN-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide
SMILESCCOc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C26H33N5O3S/c1-4-34-24-14-20(13-22(16-24)30-35(32,33)18(2)3)25-15-21(17-29-26(25)27)19-5-7-23(8-6-19)31-11-9-28-10-12-31/h5-8,13-18,28,30H,4,9-12H2,1-3H3,(H2,27,29)
InChIKeyGTJCBPZCSZZPQO-UHFFFAOYSA-N
XLogP3.96
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
CID 133053558
Ripk2-IN-1
CID 135348339
N-(5-(2-Amino-5-(4-(piperazin-1-yl)phenyl)pyridin-3-yl)-2,3-dimethoxyphenyl)propane-1-sulfonamide
CID 134817211
N-[4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]methanesulfonamide
CID 71461081
5-(4-Piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine
CID 118392559
3-(3,4-Dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392566
3-(3-Methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392567
3-(3-Methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392573
3-(3,5-Dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118716165
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118716166
N-(5-(2-Amino-5-(4-(piperazin-1-yl)phenyl)pyridin-3-yl)-3-fluoro-2-methoxyphenyl)propane-1-sulfonamide
CID 134817210
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide
CID 135348299

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide?
The IUPAC name of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide (CID 135348319) is N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide?
The canonical SMILES for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide is CCOc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1.
What is the InChIKey of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide?
The InChIKey is GTJCBPZCSZZPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3S/c1-4-34-24-14-20(13-22(16-24)30-35(32,33)18(2)3)25-15-21(17-29-26(25)27)19-5-7-23(8-6-19)31-11-9-28-10-12-31/h5-8,13-18,28,30H,4,9-12H2,1-3H3,(H2,27,29).
What are the key properties of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide?
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide has a molecular weight of 495.65 g/mol, XLogP of 3.96, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-ethoxyphenyl]propane-2-sulfonamide is sourced from PubChem (CID 135348319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).