N-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide

C22H24N6O5S — CID 177371711

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCC(C(=O)/N=N/c3c(O)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H24N6O5S/c23-34(32,33)16-7-5-15(6-8-16)24-19(29)13-28-11-9-14(10-12-28)21(30)27-26-20-17-3-1-2-4-18(17)25-22(20)31/h1-8,14,25,31H,9-13H2,(H,24,29)(H2,23,32,33)/b27-26+
InChIKeyZOPYVKDRSBZMDU-CYYJNZCTSA-N
MW484.54 g/mol
LogP2.48
Rot. Bonds6

About N-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide (PubChem CID 177371711) has the molecular formula C22H24N6O5S and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide
PubChem CID177371711
Molecular FormulaC22H24N6O5S
Molecular Weight484.54 g/mol
Exact Mass484.15
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCC(C(=O)/N=N/c3c(O)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H24N6O5S/c23-34(32,33)16-7-5-15(6-8-16)24-19(29)13-28-11-9-14(10-12-28)21(30)27-26-20-17-3-1-2-4-18(17)25-22(20)31/h1-8,14,25,31H,9-13H2,(H,24,29)(H2,23,32,33)/b27-26+
InChIKeyZOPYVKDRSBZMDU-CYYJNZCTSA-N
XLogP2.48
TPSA170.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide (CID 177371711) is N-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)CN2CCC(C(=O)/N=N/c3c(O)[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide?
The InChIKey is ZOPYVKDRSBZMDU-CYYJNZCTSA-N. The full InChI is InChI=1S/C22H24N6O5S/c23-34(32,33)16-7-5-15(6-8-16)24-19(29)13-28-11-9-14(10-12-28)21(30)27-26-20-17-3-1-2-4-18(17)25-22(20)31/h1-8,14,25,31H,9-13H2,(H,24,29)(H2,23,32,33)/b27-26+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 2.48, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 177371711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).