N-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C21H22ClN3O4S — CID 91235172

IUPACN-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1ccccc1)C1=CC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)ON1
InChIInChI=1S/C21H22ClN3O4S/c22-17-7-4-8-18(13-17)30(27,28)25-11-9-21(10-12-25)14-19(24-29-21)20(26)23-15-16-5-2-1-3-6-16/h1-8,13-14,24H,9-12,15H2,(H,23,26)
InChIKeyUCWKWXHOYARPFO-UHFFFAOYSA-N
MW447.94 g/mol
LogP2.60
Rot. Bonds5

About N-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

N-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91235172) has the molecular formula C21H22ClN3O4S and a molecular weight of 447.94 g/mol. Its IUPAC name is N-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91235172
Molecular FormulaC21H22ClN3O4S
Molecular Weight447.94 g/mol
Exact Mass447.10
IUPAC NameN-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1ccccc1)C1=CC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)ON1
InChIInChI=1S/C21H22ClN3O4S/c22-17-7-4-8-18(13-17)30(27,28)25-11-9-21(10-12-25)14-19(24-29-21)20(26)23-15-16-5-2-1-3-6-16/h1-8,13-14,24H,9-12,15H2,(H,23,26)
InChIKeyUCWKWXHOYARPFO-UHFFFAOYSA-N
XLogP2.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-8-(3-chlorophenyl)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

Related Compounds

2-(3-Benzenesulfonamido-6-methyl-2-oxo-1,2-dihydropyridin-1-YL)-N-[(3-chlorophenyl)methyl]acetamide
CID 53161442
8-(5-chlorothiophen-2-yl)sulfonyl-N-[(2,5-difluorophenyl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90851358
N-[(3-chlorophenyl)methyl]-8-[3-(trifluoromethyl)phenyl]sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90952018
N-[(2-fluorophenyl)methyl]-8-(4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91178972
8-(4-fluorophenyl)sulfonyl-N-(3-phenylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91410672
8-(2,5-dichlorophenyl)sulfonyl-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91425189
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 55791380
8-(2,5-dichlorophenyl)sulfonyl-N-(1,3-diphenylpropan-2-yl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90828477
N-[1-(4-methylphenyl)ethyl]-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90856305
N-benzhydryl-8-(5-chlorothiophen-2-yl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90865051
N-[(3,5-dichlorophenyl)methyl]-8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 91018741
(4-Benzylpiperazin-1-yl)-[8-(2,5-dichlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl]methanone
CID 91334207

Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91235172) is N-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NCc1ccccc1)C1=CC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)ON1.
What is the InChIKey of N-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is UCWKWXHOYARPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4S/c22-17-7-4-8-18(13-17)30(27,28)25-11-9-21(10-12-25)14-19(24-29-21)20(26)23-15-16-5-2-1-3-6-16/h1-8,13-14,24H,9-12,15H2,(H,23,26).
What are the key properties of N-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 447.94 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-(3-chlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91235172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).