2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide

C28H30N4O4S — CID 71151588

IUPAC2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C28H30N4O4S/c29-28(33)24-10-4-5-13-27(24)36-21-7-15-30-17-19-31(20-18-30)25-11-6-12-26-23(25)14-16-32(26)37(34,35)22-8-2-1-3-9-22/h1-6,8-14,16H,7,15,17-21H2,(H2,29,33)
InChIKeyKWZBJWOQFABHPF-UHFFFAOYSA-N
MW518.64 g/mol
LogP3.57
Rot. Bonds9

About 2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide

2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide (PubChem CID 71151588) has the molecular formula C28H30N4O4S and a molecular weight of 518.64 g/mol. Its IUPAC name is 2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide.

Molecular Properties

Compound Name2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide
PubChem CID71151588
Molecular FormulaC28H30N4O4S
Molecular Weight518.64 g/mol
Exact Mass518.20
IUPAC Name2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C28H30N4O4S/c29-28(33)24-10-4-5-13-27(24)36-21-7-15-30-17-19-31(20-18-30)25-11-6-12-26-23(25)14-16-32(26)37(34,35)22-8-2-1-3-9-22/h1-6,8-14,16H,7,15,17-21H2,(H2,29,33)
InChIKeyKWZBJWOQFABHPF-UHFFFAOYSA-N
XLogP3.57
TPSA97.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.64
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl N-[1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate
CID 14753014
N-(4-[6-(2-cyclopentylacetamido)indol-1-ylmethyl]-3-methoxybenzoyl)benzenesulphonamide
CID 14753021
4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
CID 14753022
7-[4-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 71151933
N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431488
2-[3-[4-[1-[(2-Fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide
CID 71151591
2-[3-[4-(1-Benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide
CID 71151664
2-[3-[4-[1-[(3-Fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide
CID 71151683
7-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 71151704
2-[4-[4-[1-(Benzenesulfonyl)indol-4-yl]piperazin-1-yl]butoxy]benzamide
CID 71151757
2-[3-[4-[1-[(4-Fluorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide
CID 71151870
2-[3-[4-[1-[(3-Chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide
CID 71151889

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide?
The IUPAC name of 2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide (CID 71151588) is 2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide.
What is the SMILES notation for 2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide?
The canonical SMILES for 2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide is NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide?
The InChIKey is KWZBJWOQFABHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4S/c29-28(33)24-10-4-5-13-27(24)36-21-7-15-30-17-19-31(20-18-30)25-11-6-12-26-23(25)14-16-32(26)37(34,35)22-8-2-1-3-9-22/h1-6,8-14,16H,7,15,17-21H2,(H2,29,33).
What are the key properties of 2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide?
2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide has a molecular weight of 518.64 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]propoxy]benzamide is sourced from PubChem (CID 71151588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).