(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide

C20H32N4O7S3 — CID 162365313

IUPAC(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CN(S(C)(=O)=O)C3)C2)cc1
InChIInChI=1S/C20H32N4O7S3/c1-4-22(5-2)33(28,29)18-8-10-19(11-9-18)34(30,31)23-12-6-7-16(13-23)20(25)21-17-14-24(15-17)32(3,26)27/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyRIVHANBCYCZDTM-MRXNPFEDSA-N
MW536.70 g/mol
LogP-0.12
Rot. Bonds9

About (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide

(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide (PubChem CID 162365313) has the molecular formula C20H32N4O7S3 and a molecular weight of 536.70 g/mol. Its IUPAC name is (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide
PubChem CID162365313
Molecular FormulaC20H32N4O7S3
Molecular Weight536.70 g/mol
Exact Mass536.14
IUPAC Name(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CN(S(C)(=O)=O)C3)C2)cc1
InChIInChI=1S/C20H32N4O7S3/c1-4-22(5-2)33(28,29)18-8-10-19(11-9-18)34(30,31)23-12-6-7-16(13-23)20(25)21-17-14-24(15-17)32(3,26)27/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyRIVHANBCYCZDTM-MRXNPFEDSA-N
XLogP-0.12
TPSA141.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.70
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide (CID 162365313) is (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CN(S(C)(=O)=O)C3)C2)cc1.
What is the InChIKey of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide?
The InChIKey is RIVHANBCYCZDTM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H32N4O7S3/c1-4-22(5-2)33(28,29)18-8-10-19(11-9-18)34(30,31)23-12-6-7-16(13-23)20(25)21-17-14-24(15-17)32(3,26)27/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,21,25)/t16-/m1/s1.
What are the key properties of (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide?
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide has a molecular weight of 536.70 g/mol, XLogP of -0.12, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N-(1-methylsulfonylazetidin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 162365313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).