(4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C22H29N3O4S — CID 99740441

IUPAC(4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1
InChIInChI=1S/C22H29N3O4S/c23-14-17-6-8-19(9-7-17)30(27,28)25-15-20(22(16-25)10-12-29-13-11-22)21(26)24-18-4-2-1-3-5-18/h6-9,18,20H,1-5,10-13,15-16H2,(H,24,26)/t20-/m1/s1
InChIKeyNAAWEBCITUZPSK-HXUWFJFHSA-N
MW431.56 g/mol
LogP2.42
Rot. Bonds4

About (4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

(4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 99740441) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is (4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID99740441
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name(4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1
InChIInChI=1S/C22H29N3O4S/c23-14-17-6-8-19(9-7-17)30(27,28)25-15-20(22(16-25)10-12-29-13-11-22)21(26)24-18-4-2-1-3-5-18/h6-9,18,20H,1-5,10-13,15-16H2,(H,24,26)/t20-/m1/s1
InChIKeyNAAWEBCITUZPSK-HXUWFJFHSA-N
XLogP2.42
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 99740441) is (4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is N#Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCCCC3)C3(CCOCC3)C2)cc1.
What is the InChIKey of (4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is NAAWEBCITUZPSK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N3O4S/c23-14-17-6-8-19(9-7-17)30(27,28)25-15-20(22(16-25)10-12-29-13-11-22)21(26)24-18-4-2-1-3-5-18/h6-9,18,20H,1-5,10-13,15-16H2,(H,24,26)/t20-/m1/s1.
What are the key properties of (4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
(4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-cyanophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 99740441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).