N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C30H33N3O4S — CID 91127601

IUPACN-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC3(C=C(C(=O)NC(Cc4ccccc4)Cc4ccccc4)NO3)CC2)cc1
InChIInChI=1S/C30H33N3O4S/c1-23-12-14-27(15-13-23)38(35,36)33-18-16-30(17-19-33)22-28(32-37-30)29(34)31-26(20-24-8-4-2-5-9-24)21-25-10-6-3-7-11-25/h2-15,22,26,32H,16-21H2,1H3,(H,31,34)
InChIKeyULHGKTKHMGYOMU-UHFFFAOYSA-N
MW531.68 g/mol
LogP3.91
Rot. Bonds8

About N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91127601) has the molecular formula C30H33N3O4S and a molecular weight of 531.68 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91127601
Molecular FormulaC30H33N3O4S
Molecular Weight531.68 g/mol
Exact Mass531.22
IUPAC NameN-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC3(C=C(C(=O)NC(Cc4ccccc4)Cc4ccccc4)NO3)CC2)cc1
InChIInChI=1S/C30H33N3O4S/c1-23-12-14-27(15-13-23)38(35,36)33-18-16-30(17-19-33)22-28(32-37-30)29(34)31-26(20-24-8-4-2-5-9-24)21-25-10-6-3-7-11-25/h2-15,22,26,32H,16-21H2,1H3,(H,31,34)
InChIKeyULHGKTKHMGYOMU-UHFFFAOYSA-N
XLogP3.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.68
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-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 N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91127601) is N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC3(C=C(C(=O)NC(Cc4ccccc4)Cc4ccccc4)NO3)CC2)cc1.
What is the InChIKey of N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is ULHGKTKHMGYOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4S/c1-23-12-14-27(15-13-23)38(35,36)33-18-16-30(17-19-33)22-28(32-37-30)29(34)31-26(20-24-8-4-2-5-9-24)21-25-10-6-3-7-11-25/h2-15,22,26,32H,16-21H2,1H3,(H,31,34).
What are the key properties of N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 531.68 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-yl)-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91127601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).