N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C17H22N4O3S — CID 126458568

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cn2cc3c(n2)CCCC3)cc1
InChIInChI=1S/C17H22N4O3S/c18-25(23,24)15-7-5-13(6-8-15)9-10-19-17(22)12-21-11-14-3-1-2-4-16(14)20-21/h5-8,11H,1-4,9-10,12H2,(H,19,22)(H2,18,23,24)
InChIKeyZPXGGEDRKUJASG-UHFFFAOYSA-N
MW362.46 g/mol
LogP0.77
Rot. Bonds6

About N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 126458568) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID126458568
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cn2cc3c(n2)CCCC3)cc1
InChIInChI=1S/C17H22N4O3S/c18-25(23,24)15-7-5-13(6-8-15)9-10-19-17(22)12-21-11-14-3-1-2-4-16(14)20-21/h5-8,11H,1-4,9-10,12H2,(H,19,22)(H2,18,23,24)
InChIKeyZPXGGEDRKUJASG-UHFFFAOYSA-N
XLogP0.77
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 126457056
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25036533
N-[2-(4-sulfamoylphenyl)ethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388591
2-[(2R)-2-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2698032
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 34422322
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2078489
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30126498
2-[(3S)-3-methylpiperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2099648
ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
CID 27154557
2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 126458568) is N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is NS(=O)(=O)c1ccc(CCNC(=O)Cn2cc3c(n2)CCCC3)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is ZPXGGEDRKUJASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c18-25(23,24)15-7-5-13(6-8-15)9-10-19-17(22)12-21-11-14-3-1-2-4-16(14)20-21/h5-8,11H,1-4,9-10,12H2,(H,19,22)(H2,18,23,24).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 362.46 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 126458568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).