N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide

C29H35N5O5S — CID 24986738

IUPACN-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
SMILESCN(C)CCN1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)cc2)CC1
InChIInChI=1S/C29H35N5O5S/c1-32(2)16-17-33-18-20-34(21-19-33)28(35)22-30-29(36)23-12-14-25(15-13-23)40(37,38)31-26-10-6-7-11-27(26)39-24-8-4-3-5-9-24/h3-15,31H,16-22H2,1-2H3,(H,30,36)
InChIKeyNLYPKRZWKRTZNX-UHFFFAOYSA-N
MW565.70 g/mol
LogP2.72
Rot. Bonds11

About N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide

N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide (PubChem CID 24986738) has the molecular formula C29H35N5O5S and a molecular weight of 565.70 g/mol. Its IUPAC name is N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
PubChem CID24986738
Molecular FormulaC29H35N5O5S
Molecular Weight565.70 g/mol
Exact Mass565.24
IUPAC NameN-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
SMILESCN(C)CCN1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)cc2)CC1
InChIInChI=1S/C29H35N5O5S/c1-32(2)16-17-33-18-20-34(21-19-33)28(35)22-30-29(36)23-12-14-25(15-13-23)40(37,38)31-26-10-6-7-11-27(26)39-24-8-4-3-5-9-24/h3-15,31H,16-22H2,1-2H3,(H,30,36)
InChIKeyNLYPKRZWKRTZNX-UHFFFAOYSA-N
XLogP2.72
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.70
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid
CID 31475850
N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24900839
2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid
CID 68577142
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 24986737
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 24987450
N-[2-(3,4-dichlorophenoxy)phenyl]-4-[4-[2-(diethylamino)ethyl]piperazine-1-carbonyl]benzenesulfonamide
CID 68527399
(2R)-3-hydroxy-2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]propanoic acid
CID 68771863
N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 88975994
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]benzamide;hydrochloride
CID 24987823
4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 68529823
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]-N-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 87503231

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide (CID 24986738) is N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide is CN(C)CCN1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)cc2)CC1.
What is the InChIKey of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide?
The InChIKey is NLYPKRZWKRTZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O5S/c1-32(2)16-17-33-18-20-34(21-19-33)28(35)22-30-29(36)23-12-14-25(15-13-23)40(37,38)31-26-10-6-7-11-27(26)39-24-8-4-3-5-9-24/h3-15,31H,16-22H2,1-2H3,(H,30,36).
What are the key properties of N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide?
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide has a molecular weight of 565.70 g/mol, XLogP of 2.72, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24986738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).