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

C34H43N5O5S — CID 24900839

IUPACN-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
SMILESO=C(CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1)NCCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C34H43N5O5S/c40-33(35-20-9-21-38-24-18-28(19-25-38)39-22-7-2-8-23-39)26-36-34(41)27-14-16-30(17-15-27)45(42,43)37-31-12-5-6-13-32(31)44-29-10-3-1-4-11-29/h1,3-6,10-17,28,37H,2,7-9,18-26H2,(H,35,40)(H,36,41)
InChIKeyKHUGRFXCTDYGBV-UHFFFAOYSA-N
MW633.82 g/mol
LogP4.47
Rot. Bonds13

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

N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide (PubChem CID 24900839) has the molecular formula C34H43N5O5S and a molecular weight of 633.82 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
PubChem CID24900839
Molecular FormulaC34H43N5O5S
Molecular Weight633.82 g/mol
Exact Mass633.30
IUPAC NameN-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
SMILESO=C(CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1)NCCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C34H43N5O5S/c40-33(35-20-9-21-38-24-18-28(19-25-38)39-22-7-2-8-23-39)26-36-34(41)27-14-16-30(17-15-27)45(42,43)37-31-12-5-6-13-32(31)44-29-10-3-1-4-11-29/h1,3-6,10-17,28,37H,2,7-9,18-26H2,(H,35,40)(H,36,41)
InChIKeyKHUGRFXCTDYGBV-UHFFFAOYSA-N
XLogP4.47
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.82
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-[4-(4-piperidin-1-ylpiperidin-1-yl)anilino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24900838
N-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-4-[(4-phenoxyphenyl)sulfamoyl]benzamide
CID 71008233
4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 68529823
2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid
CID 31475850
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]benzamide
CID 24900968
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24986738
4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 118462134
2-[[4-[[2-(4-fluorophenoxy)phenyl]sulfamoyl]benzoyl]amino]acetic acid
CID 68577142
4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577342
4-[(2-fluorophenyl)sulfamoyl]-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55724828
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylsulfamoyl)benzamide
CID 30942685
N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 37295302

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide (CID 24900839) is N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide is O=C(CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1)NCCCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide?
The InChIKey is KHUGRFXCTDYGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O5S/c40-33(35-20-9-21-38-24-18-28(19-25-38)39-22-7-2-8-23-39)26-36-34(41)27-14-16-30(17-15-27)45(42,43)37-31-12-5-6-13-32(31)44-29-10-3-1-4-11-29/h1,3-6,10-17,28,37H,2,7-9,18-26H2,(H,35,40)(H,36,41).
What are the key properties of N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide?
N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide has a molecular weight of 633.82 g/mol, XLogP of 4.47, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24900839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).