1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide

C23H22F2N2O4S — CID 175906946

IUPAC1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)C2(CCC2)C(=O)N3c2cccc(OC(F)F)c2)CCOS1
InChIInChI=1S/C23H22F2N2O4S/c1-22(10-11-30-32-22)26-19(28)14-6-7-18-17(12-14)23(8-3-9-23)20(29)27(18)15-4-2-5-16(13-15)31-21(24)25/h2,4-7,12-13,21H,3,8-11H2,1H3,(H,26,28)
InChIKeyOIQHZUMXDCDOSQ-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.90
Rot. Bonds5

About 1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide

1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide (PubChem CID 175906946) has the molecular formula C23H22F2N2O4S and a molecular weight of 460.50 g/mol. Its IUPAC name is 1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide.

Molecular Properties

Compound Name1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide
PubChem CID175906946
Molecular FormulaC23H22F2N2O4S
Molecular Weight460.50 g/mol
Exact Mass460.13
IUPAC Name1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)C2(CCC2)C(=O)N3c2cccc(OC(F)F)c2)CCOS1
InChIInChI=1S/C23H22F2N2O4S/c1-22(10-11-30-32-22)26-19(28)14-6-7-18-17(12-14)23(8-3-9-23)20(29)27(18)15-4-2-5-16(13-15)31-21(24)25/h2,4-7,12-13,21H,3,8-11H2,1H3,(H,26,28)
InChIKeyOIQHZUMXDCDOSQ-UHFFFAOYSA-N
XLogP4.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[3-(difluoromethoxy)phenyl]-3-ethyl-3-methyl-N-(3-methyloxathiolan-3-yl)-2-oxoindole-5-carboxamide
CID 175443175
1'-[3-(difluoromethoxy)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxamide
CID 163200744
1-[3-(difluoromethoxy)phenyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxopyrrolo[2,3-b]pyridine-5-carboxamide
CID 163200781
1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide
CID 175443202
1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide
CID 175443288
1-[3-(difluoromethoxy)phenyl]-N-(3-methylthietan-3-yl)-3-(oxan-4-yl)indazole-5-carboxamide
CID 162359561
carbonyl difluoride;5'-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]-1'-phenylspiro[cyclopentane-1,3'-indole]-2'-one
CID 165052573
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 2675191
1-[3-(difluoromethoxy)phenyl]-3-ethyl-N-(4-methylthian-4-yl)-2-oxobenzimidazole-5-carboxamide
CID 175457159
1-[3-(difluoromethoxy)phenyl]-N-(3-methylthiolan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-5-carboxamide
CID 175457208
N-[4-(difluoromethoxy)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7941196

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide?
The IUPAC name of 1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide (CID 175906946) is 1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide.
What is the SMILES notation for 1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide?
The canonical SMILES for 1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide is CC1(NC(=O)c2ccc3c(c2)C2(CCC2)C(=O)N3c2cccc(OC(F)F)c2)CCOS1.
What is the InChIKey of 1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide?
The InChIKey is OIQHZUMXDCDOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4S/c1-22(10-11-30-32-22)26-19(28)14-6-7-18-17(12-14)23(8-3-9-23)20(29)27(18)15-4-2-5-16(13-15)31-21(24)25/h2,4-7,12-13,21H,3,8-11H2,1H3,(H,26,28).
What are the key properties of 1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide?
1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide is sourced from PubChem (CID 175906946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).