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

C20H25ClN4O4S2 — CID 150190546

IUPAC1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc2c(c1)C1(CCN(C(C)=O)C1)CN2c1ncc(Cl)s1
InChIInChI=1S/C20H25ClN4O4S2/c1-14(26)24-8-6-20(12-24)13-25(19-22-11-18(21)30-19)17-5-4-15(10-16(17)20)31(27,28)23-7-3-9-29-2/h4-5,10-11,23H,3,6-9,12-13H2,1-2H3
InChIKeyFNIOXDHBOHCUQB-UHFFFAOYSA-N
MW485.03 g/mol
LogP2.75
Rot. Bonds7

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

1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide (PubChem CID 150190546) 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-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide.

Molecular Properties

Compound Name1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
PubChem CID150190546
Molecular FormulaC20H25ClN4O4S2
Molecular Weight485.03 g/mol
Exact Mass484.10
IUPAC Name1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc2c(c1)C1(CCN(C(C)=O)C1)CN2c1ncc(Cl)s1
InChIInChI=1S/C20H25ClN4O4S2/c1-14(26)24-8-6-20(12-24)13-25(19-22-11-18(21)30-19)17-5-4-15(10-16(17)20)31(27,28)23-7-3-9-29-2/h4-5,10-11,23H,3,6-9,12-13H2,1-2H3
InChIKeyFNIOXDHBOHCUQB-UHFFFAOYSA-N
XLogP2.75
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-(2-methoxyethyl)-N-methylspiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
CID 151171230
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'-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-chloro-1,3-thiazol-2-yl)-5-(trifluoromethoxy)spiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
CID 152557451
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'-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
1-(1'-acetyl-5-chlorospiro[2H-indole-3,3'-pyrrolidine]-1-yl)-2-(5-chloro-1,3-thiazol-2-yl)ethanone
CID 149388037
2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
CID 113437739
methyl 2-chloro-5-(3-methoxypropylsulfamoyl)benzoate
CID 100769716
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 34840068

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?
The IUPAC name of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide (CID 150190546) is 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide.
What is the SMILES notation for 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?
The canonical SMILES for 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide is COCCCNS(=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-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?
The InChIKey is FNIOXDHBOHCUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4S2/c1-14(26)24-8-6-20(12-24)13-25(19-22-11-18(21)30-19)17-5-4-15(10-16(17)20)31(27,28)23-7-3-9-29-2/h4-5,10-11,23H,3,6-9,12-13H2,1-2H3.
What are the key properties of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?
1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide has a molecular weight of 485.03 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 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-(3-methoxypropyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide is sourced from PubChem (CID 150190546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).