N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride

C28H31ClN6O5S — CID 19691180

IUPACN-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C(=O)COc4ccc5[nH]cc(N)c5c4)CC3)cc2)cc1.Cl
InChIInChI=1S/C28H30N6O5S.ClH/c1-19(35)31-20-4-9-24(10-5-20)40(37,38)32-21-2-6-22(7-3-21)33-12-14-34(15-13-33)28(36)18-39-23-8-11-27-25(16-23)26(29)17-30-27;/h2-11,16-17,30,32H,12-15,18,29H2,1H3,(H,31,35);1H
InChIKeyVQQGXPPBIQIJTO-UHFFFAOYSA-N
MW599.11 g/mol
LogP3.66
Rot. Bonds8

About N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride

N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride (PubChem CID 19691180) has the molecular formula C28H31ClN6O5S and a molecular weight of 599.11 g/mol. Its IUPAC name is N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride
PubChem CID19691180
Molecular FormulaC28H31ClN6O5S
Molecular Weight599.11 g/mol
Exact Mass598.18
IUPAC NameN-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C(=O)COc4ccc5[nH]cc(N)c5c4)CC3)cc2)cc1.Cl
InChIInChI=1S/C28H30N6O5S.ClH/c1-19(35)31-20-4-9-24(10-5-20)40(37,38)32-21-2-6-22(7-3-21)33-12-14-34(15-13-33)28(36)18-39-23-8-11-27-25(16-23)26(29)17-30-27;/h2-11,16-17,30,32H,12-15,18,29H2,1H3,(H,31,35);1H
InChIKeyVQQGXPPBIQIJTO-UHFFFAOYSA-N
XLogP3.66
TPSA149.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.11
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 19691119
N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]benzenesulfonamide;hydrochloride
CID 19691093
tert-butyl N-[5-[2-oxo-2-[4-[4-(4-sulfamoylanilino)phenyl]piperazin-1-yl]ethoxy]-1H-indol-3-yl]carbamate
CID 139980552
N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide
CID 19691157
4-[4-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 59466008
N-(3,5-dimethylphenyl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 4010850
N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 46345778
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3895993
N-[4-[4-[3-[3-(2-aminoethyl)-1H-indol-5-yl]propanoyl]piperazin-1-yl]phenyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 19691090
2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxoethoxy]-1H-indol-3-yl]ethylazanium
CID 137349273
N-tert-butyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 126201913
ethane;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[(3-propyl-1H-indol-5-yl)oxy]ethanone
CID 90905106

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride (CID 19691180) is N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C(=O)COc4ccc5[nH]cc(N)c5c4)CC3)cc2)cc1.Cl.
What is the InChIKey of N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride?
The InChIKey is VQQGXPPBIQIJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O5S.ClH/c1-19(35)31-20-4-9-24(10-5-20)40(37,38)32-21-2-6-22(7-3-21)33-12-14-34(15-13-33)28(36)18-39-23-8-11-27-25(16-23)26(29)17-30-27;/h2-11,16-17,30,32H,12-15,18,29H2,1H3,(H,31,35);1H.
What are the key properties of N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride?
N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride has a molecular weight of 599.11 g/mol, XLogP of 3.66, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[4-[2-[(3-amino-1H-indol-5-yl)oxy]acetyl]piperazin-1-yl]phenyl]sulfamoyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 19691180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).