1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide

C23H27ClN4O4S — CID 134036511

IUPAC1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1Cl
InChIInChI=1S/C23H27ClN4O4S/c1-3-28(4-2)33(30,31)21-15-17(9-10-18(21)24)25-22(29)16-11-13-27(14-12-16)23-26-19-7-5-6-8-20(19)32-23/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,25,29)
InChIKeyMFZVVQWXMWIFML-UHFFFAOYSA-N
MW491.01 g/mol
LogP4.37
Rot. Bonds7

About 1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 134036511) has the molecular formula C23H27ClN4O4S and a molecular weight of 491.01 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID134036511
Molecular FormulaC23H27ClN4O4S
Molecular Weight491.01 g/mol
Exact Mass490.14
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1Cl
InChIInChI=1S/C23H27ClN4O4S/c1-3-28(4-2)33(30,31)21-15-17(9-10-18(21)24)25-22(29)16-11-13-27(14-12-16)23-26-19-7-5-6-8-20(19)32-23/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,25,29)
InChIKeyMFZVVQWXMWIFML-UHFFFAOYSA-N
XLogP4.37
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 17428124
1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide
CID 34837675
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
1-(1,3-benzoxazol-2-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]piperidine-4-carboxamide
CID 17415594
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55577216
N-[4-chloro-3-(diethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 51154870
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-(3,4-dichlorophenyl)urea
CID 121109546
1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide
CID 24598690
N-(3-amino-4-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119420166
2-[4-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696424
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 134036511) is 1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)ccc1Cl.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is MFZVVQWXMWIFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4S/c1-3-28(4-2)33(30,31)21-15-17(9-10-18(21)24)25-22(29)16-11-13-27(14-12-16)23-26-19-7-5-6-8-20(19)32-23/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,25,29).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 491.01 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 134036511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).