N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

C23H25F2N3O3S — CID 46151202

IUPACN-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCCC(C)NC(=O)N1CCSC12C(=O)N(Cc1c(F)cccc1F)c1ccc(OC)cc12
InChIInChI=1S/C23H25F2N3O3S/c1-4-14(2)26-22(30)28-10-11-32-23(28)17-12-15(31-3)8-9-20(17)27(21(23)29)13-16-18(24)6-5-7-19(16)25/h5-9,12,14H,4,10-11,13H2,1-3H3,(H,26,30)
InChIKeyURGREYSDJSRRTL-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.23
Rot. Bonds5

About N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide

N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (PubChem CID 46151202) has the molecular formula C23H25F2N3O3S and a molecular weight of 461.53 g/mol. Its IUPAC name is N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
PubChem CID46151202
Molecular FormulaC23H25F2N3O3S
Molecular Weight461.53 g/mol
Exact Mass461.16
IUPAC NameN-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
SMILESCCC(C)NC(=O)N1CCSC12C(=O)N(Cc1c(F)cccc1F)c1ccc(OC)cc12
InChIInChI=1S/C23H25F2N3O3S/c1-4-14(2)26-22(30)28-10-11-32-23(28)17-12-15(31-3)8-9-20(17)27(21(23)29)13-16-18(24)6-5-7-19(16)25/h5-9,12,14H,4,10-11,13H2,1-3H3,(H,26,30)
InChIKeyURGREYSDJSRRTL-UHFFFAOYSA-N
XLogP4.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(2,6-difluorophenyl)methyl]-N-ethyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016737
(2R)-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185842
(2R)-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187482
N-(3-chlorophenyl)-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016740
(2R)-1'-[(2,6-difluorophenyl)methyl]-N-(4-methoxyphenyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185643
(2R)-1'-[(2,6-difluorophenyl)methyl]-3-(4-methoxybenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187296
(2R)-N-benzyl-5'-methoxy-1'-[(3-methoxyphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185406
(2S)-1'-[(3,4-difluorophenyl)methyl]-5'-methoxy-N-(3-methoxyphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185874
(2S)-1'-[(3-fluorophenyl)methyl]-5'-methoxy-3-(2-methylpropanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186997
(2R)-5'-methoxy-1'-[(3-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185380
(2S)-1'-[(3-fluorophenyl)methyl]-5'-methoxy-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185302
(2R)-1'-[(3,4-difluorophenyl)methyl]-5'-methoxy-3-(2-methylpropanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187506

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The IUPAC name of N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide (CID 46151202) is N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is CCC(C)NC(=O)N1CCSC12C(=O)N(Cc1c(F)cccc1F)c1ccc(OC)cc12.
What is the InChIKey of N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
The InChIKey is URGREYSDJSRRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3S/c1-4-14(2)26-22(30)28-10-11-32-23(28)17-12-15(31-3)8-9-20(17)27(21(23)29)13-16-18(24)6-5-7-19(16)25/h5-9,12,14H,4,10-11,13H2,1-3H3,(H,26,30).
What are the key properties of N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide?
N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1'-[(2,6-difluorophenyl)methyl]-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide is sourced from PubChem (CID 46151202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).