N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide

C29H34N4O5S — CID 71008233

IUPACN-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide
SMILESO=C(CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)NCCCN1CCCCC1
InChIInChI=1S/C29H34N4O5S/c34-28(30-18-7-21-33-19-5-2-6-20-33)22-31-29(35)23-10-16-27(17-11-23)39(36,37)32-24-12-14-26(15-13-24)38-25-8-3-1-4-9-25/h1,3-4,8-17,32H,2,5-7,18-22H2,(H,30,34)(H,31,35)
InChIKeyIXBNTPXKVWNXRV-UHFFFAOYSA-N
MW550.68 g/mol
LogP4.00
Rot. Bonds12

About N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide

N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide (PubChem CID 71008233) has the molecular formula C29H34N4O5S and a molecular weight of 550.68 g/mol. Its IUPAC name is N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide
PubChem CID71008233
Molecular FormulaC29H34N4O5S
Molecular Weight550.68 g/mol
Exact Mass550.22
IUPAC NameN-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide
SMILESO=C(CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)NCCCN1CCCCC1
InChIInChI=1S/C29H34N4O5S/c34-28(30-18-7-21-33-19-5-2-6-20-33)22-31-29(35)23-10-16-27(17-11-23)39(36,37)32-24-12-14-26(15-13-24)38-25-8-3-1-4-9-25/h1,3-4,8-17,32H,2,5-7,18-22H2,(H,30,34)(H,31,35)
InChIKeyIXBNTPXKVWNXRV-UHFFFAOYSA-N
XLogP4.00
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.68
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24900839
N-[2-(azepan-1-yl)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 37297933
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 17491785
N-(3-piperidin-1-ylpropyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 18150972
4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 68529823
N-[3-(azepan-1-yl)propyl]-4-(tert-butylsulfamoyl)benzamide
CID 30942643
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
CID 30942685
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396012
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]benzamide
CID 24900968
4-[(2,4-dichlorophenoxy)-phenylsulfamoyl]-N-[2-oxo-2-(4-piperidin-1-ylbutylamino)ethyl]benzamide
CID 87472007
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide (CID 71008233) is N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide is O=C(CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)NCCCN1CCCCC1.
What is the InChIKey of N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide?
The InChIKey is IXBNTPXKVWNXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O5S/c34-28(30-18-7-21-33-19-5-2-6-20-33)22-31-29(35)23-10-16-27(17-11-23)39(36,37)32-24-12-14-26(15-13-24)38-25-8-3-1-4-9-25/h1,3-4,8-17,32H,2,5-7,18-22H2,(H,30,34)(H,31,35).
What are the key properties of N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide?
N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide has a molecular weight of 550.68 g/mol, XLogP of 4.00, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 71008233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).