4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

C23H28N4O5S — CID 46836899

IUPAC4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCN1CCOc2cc(S(=O)(=O)N3CCOC34CCN(C(=O)Nc3ccccc3)CC4)ccc21
InChIInChI=1S/C23H28N4O5S/c1-25-13-15-31-21-17-19(7-8-20(21)25)33(29,30)27-14-16-32-23(27)9-11-26(12-10-23)22(28)24-18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3,(H,24,28)
InChIKeyDFVXFQZACQKJJB-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.56
Rot. Bonds3

About 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 46836899) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID46836899
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCN1CCOc2cc(S(=O)(=O)N3CCOC34CCN(C(=O)Nc3ccccc3)CC4)ccc21
InChIInChI=1S/C23H28N4O5S/c1-25-13-15-31-21-17-19(7-8-20(21)25)33(29,30)27-14-16-32-23(27)9-11-26(12-10-23)22(28)24-18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3,(H,24,28)
InChIKeyDFVXFQZACQKJJB-UHFFFAOYSA-N
XLogP2.56
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-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 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 46836899) is 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is CN1CCOc2cc(S(=O)(=O)N3CCOC34CCN(C(=O)Nc3ccccc3)CC4)ccc21.
What is the InChIKey of 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is DFVXFQZACQKJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-25-13-15-31-21-17-19(7-8-20(21)25)33(29,30)27-14-16-32-23(27)9-11-26(12-10-23)22(28)24-18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3,(H,24,28).
What are the key properties of 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 46836899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).