1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide

C20H25ClN4O4S2 — CID 151171230

IUPAC1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc2c(c1)C1(CCN(C(C)=O)C1)CN2c1ncc(Cl)s1
InChIInChI=1S/C20H25ClN4O4S2/c1-14(26)24-7-6-20(12-24)13-25(19-22-11-18(21)30-19)17-5-4-15(10-16(17)20)31(27,28)23(2)8-9-29-3/h4-5,10-11H,6-9,12-13H2,1-3H3
InChIKeyNCHYBNFGNHJIFK-UHFFFAOYSA-N
MW485.03 g/mol
LogP2.71
Rot. Bonds6

About 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide

1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide (PubChem CID 151171230) has the molecular formula C20H25ClN4O4S2 and a molecular weight of 485.03 g/mol. Its IUPAC name is 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide.

Molecular Properties

Compound Name1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
PubChem CID151171230
Molecular FormulaC20H25ClN4O4S2
Molecular Weight485.03 g/mol
Exact Mass484.10
IUPAC Name1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc2c(c1)C1(CCN(C(C)=O)C1)CN2c1ncc(Cl)s1
InChIInChI=1S/C20H25ClN4O4S2/c1-14(26)24-7-6-20(12-24)13-25(19-22-11-18(21)30-19)17-5-4-15(10-16(17)20)31(27,28)23(2)8-9-29-3/h4-5,10-11H,6-9,12-13H2,1-3H3
InChIKeyNCHYBNFGNHJIFK-UHFFFAOYSA-N
XLogP2.71
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
CID 150190546
1-[1-(5-chloro-1,3-thiazol-2-yl)-5-piperidin-1-ylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
CID 150543697
1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
CID 151355514
1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
CID 151956640
1-[1-(5-chloro-1,3-thiazol-2-yl)-5-(trifluoromethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
CID 152557451
1'-acetyl-N-(5-chloro-1,3-thiazol-2-yl)-5-(2-methoxyethylsulfamoyl)spiro[2H-indole-3,3'-pyrrolidine]-1-carboxamide
CID 90449579
1-[1-(5-fluoro-1,3-thiazol-2-yl)-5-(4-methylpiperazin-1-yl)sulfonylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
CID 151220491
1-[5-chloro-1-(5-chloro-1,3-thiazol-2-yl)spiro[2H-indole-3,3'-pyrrolidine]-1'-yl]-2,2-difluoroethanone
CID 151625003
1-(1'-acetyl-5-pentoxyspiro[2H-indole-3,3'-pyrrolidine]-1-yl)-2-(5-chloro-1,3-thiazol-2-yl)ethanone;carbon dioxide
CID 157103430
methyl 6-[2-[1'-acetyl-5-[benzyl(methyl)sulfamoyl]spiro[2H-indole-3,3'-pyrrolidine]-1-yl]-2-oxoethyl]pyridine-3-carboxylate
CID 160537802
1-[5-(4-methoxyphenoxy)-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)spiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
CID 150952386
1'-acetyl-1-[2-(5-chloro-1,3-thiazol-2-yl)acetyl]-N-(furan-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
CID 159248360

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?
The IUPAC name of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide (CID 151171230) is 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide.
What is the SMILES notation for 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?
The canonical SMILES for 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide is COCCN(C)S(=O)(=O)c1ccc2c(c1)C1(CCN(C(C)=O)C1)CN2c1ncc(Cl)s1.
What is the InChIKey of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?
The InChIKey is NCHYBNFGNHJIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4S2/c1-14(26)24-7-6-20(12-24)13-25(19-22-11-18(21)30-19)17-5-4-15(10-16(17)20)31(27,28)23(2)8-9-29-3/h4-5,10-11H,6-9,12-13H2,1-3H3.
What are the key properties of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?
1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide has a molecular weight of 485.03 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide is sourced from PubChem (CID 151171230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).